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Compound Report Overview

Compound Name: RAPAMYCIN

Compound Identifier: 700739

Mol Structure 2D: 700739

Molecular Weight: 914

Formula: C51 H79 N O13

Development Status: US FDA Approved

SMILES: COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222202D 0 0.00000 0.00000 0^^ 69 72 0 1 0 999 V2000^ -0.3833 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4125 -2.0417 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.6208 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2625 -1.6375 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.0833 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0792 2.0833 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.4333 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.4417 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1250 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5333 -1.1042 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.7792 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4167 2.0875 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.5542 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3708 0.4833 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.3000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5833 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9875 2.5208 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3292 0.9458 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.4375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 -1.0917 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.9833 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6542 -2.6292 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.6000 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4167 -1.6292 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.4333 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0875 2.4625 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.6125 1.0583 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.9875 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0417 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2417 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2250 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6208 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3000 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2958 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6708 2.2375 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.2792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 1.4708 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.9667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7542 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2750 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7500 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3167 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5833 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9417 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6375 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8125 1.9083 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.2708 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5000 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.7208 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2708 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5250 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2833 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0250 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8292 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0958 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1792 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1625 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4583 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 -0.5542 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.2750 0.1958 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.9542 -0.7000 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.0083 2.0875 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 3 1 0 0 0^ 10 5 1 1 0 0^ 6 12 1 0 0 0^ 7 5 1 0 0 0^ 8 6 1 0 0 0^ 9 13 2 0 0 0^ 10 4 1 0 0 0^ 2 11 1 6 0 0^ 12 9 1 0 0 0^ 13 18 1 0 0 0^ 14 7 1 6 0 0^ 15 16 1 0 0 0^ 16 14 1 0 0 0^ 17 32 1 0 0 0^ 18 15 1 0 0 0^ 19 20 1 0 0 0^ 20 23 1 0 0 0^ 21 1 2 0 0 0^ 22 2 1 0 0 0^ 23 25 1 0 0 0^ 24 3 2 0 0 0^ 25 11 1 0 0 0^ 26 5 2 0 0 0^ 27 33 1 0 0 0^ 28 14 1 0 0 0^ 29 8 2 0 0 0^ 30 19 2 0 0 0^ 2 31 1 1 0 0^ 32 48 1 0 0 0^ 33 38 1 0 0 0^ 34 15 2 0 0 0^ 35 28 1 0 0 0^ 36 43 1 0 0 0^ 37 30 1 0 0 0^ 38 35 1 6 0 0^ 39 37 2 0 0 0^ 40 39 1 0 0 0^ 41 40 2 0 0 0^ 42 22 1 0 0 0^ 43 49 1 0 0 0^ 6 44 1 6 0 0^ 45 4 1 0 0 0^ 12 46 1 1 0 0^ 47 42 1 0 0 0^ 48 41 1 0 0 0^ 49 38 1 0 0 0^ 20 50 1 1 0 0^ 27 51 1 6 0 0^ 52 9 1 0 0 0^ 36 53 1 1 0 0^ 54 10 1 0 0 0^ 55 19 1 0 0 0^ 17 56 1 6 0 0^ 18 57 1 1 0 0^ 28 58 1 1 0 0^ 22 59 1 1 0 0^ 60 44 1 0 0 0^ 61 51 1 0 0 0^ 62 50 1 0 0 0^ 48 63 1 6 0 0^ 64 45 1 0 0 0^ 65 64 1 0 0 0^ 10 66 1 6 0 0^ 14 67 1 1 0 0^ 25 68 1 1 0 0^ 38 69 1 1 0 0^ 25 47 1 1 0 0^ 65 54 1 0 0 0^ 36 27 1 0 0 0^ 17 8 1 0 0 0^M END^^

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