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Compound Report Overview

Compound Name: BOMBESIN

Compound Identifier: 704352

Mol Structure 2D: 704352

Molecular Weight: 1620

Formula: C71 H110 N24 O18 S

Development Status: Preclinical

SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCC(=O)N4)C(C)C)C(=O)N

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

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0 0 0 0 0 0 0 0^ -0.9458 -0.0917 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.2500 -0.0792 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.4417 -0.0792 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6375 -0.0667 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9458 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8667 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2375 0.0458 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.1375 -0.1042 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.9375 -0.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.3458 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1208 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1458 0.0125 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.4375 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.0375 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3375 -0.1167 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3458 0.0208 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.6375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7375 -0.4375 0.0000 C 0 0 0 0 0 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1.6375 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9458 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0292 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2375 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1333 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3208 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7333 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2417 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3458 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3583 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3333 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.7958 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3333 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3458 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3458 0.6958 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.5458 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0375 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5500 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.2375 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.9000 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.4417 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.1500 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1333 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0375 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.9333 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.8375 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0375 -0.6292 0.0000 S 0 0 0 0 0 0 0 0 0^ 0.3792 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9375 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.4292 0.3958 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.0375 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5458 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5458 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9333 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4292 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7375 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7167 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 50 1 0 0 0^ 4 18 1 0 0 0^ 5 28 1 0 0 0^ 6 24 1 0 0 0^ 7 31 1 0 0 0^ 8 19 1 0 0 0^ 33 9 1 6 0 0^ 10 14 1 0 0 0^ 11 22 1 0 0 0^ 12 16 1 0 0 0^ 13 17 1 0 0 0^ 24 14 1 6 0 0^ 15 5 1 0 0 0^ 32 16 1 6 0 0^ 17 1 2 0 0 0^ 43 18 1 1 0 0^ 42 19 1 6 0 0^ 20 7 1 0 0 0^ 21 6 1 0 0 0^ 52 22 1 1 0 0^ 23 4 1 0 0 0^ 24 37 1 0 0 0^ 25 2 1 6 0 0^ 26 25 1 0 0 0^ 27 23 1 0 0 0^ 28 40 1 6 0 0^ 29 49 1 0 0 0^ 30 38 1 0 0 0^ 31 15 1 1 0 0^ 32 29 1 0 0 0^ 33 8 1 0 0 0^ 34 83 1 0 0 0^ 35 9 1 0 0 0^ 36 1 1 0 0 0^ 37 1 1 0 0 0^ 38 44 1 0 0 0^ 23 39 1 6 0 0^ 40 47 1 0 0 0^ 41 53 1 0 0 0^ 42 11 1 0 0 0^ 43 10 1 0 0 0^ 44 28 1 0 0 0^ 45 27 1 0 0 0^ 46 39 1 0 0 0^ 47 85 1 0 0 0^ 48 26 1 0 0 0^ 49 84 1 0 0 0^ 50 21 1 1 0 0^ 51 59 1 0 0 0^ 52 12 1 0 0 0^ 53 20 1 6 0 0^ 54 30 2 0 0 0^ 55 36 2 0 0 0^ 56 91 1 0 0 0^ 57 92 1 0 0 0^ 58 34 2 0 0 0^ 59 38 2 0 0 0^ 60 3 2 0 0 0^ 61 7 2 0 0 0^ 62 4 2 0 0 0^ 63 5 2 0 0 0^ 64 6 2 0 0 0^ 65 8 2 0 0 0^ 66 11 2 0 0 0^ 67 12 2 0 0 0^ 68 10 2 0 0 0^ 69 26 2 0 0 0^ 70 29 2 0 0 0^ 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