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Name:CHEMBL552988
PubChem ID:45270551
Pathway:Show KEGG pathways
InChI:InChI=1S/C52H63IN10O9S2/c1-28(2)56-24-32-15-13-31(14-16-32)21-40-49(69)60-41(22-33-17-18-44(65)36(53)19-33)50(70)62-43(52(72)63-45(29(3)64)46(55)66)27-74-73-26-37(54)47(67)58-39(20-30-9-5-4-6-10-30)48(68)61-42(51(71)59-40)23-34-25-57-38-12-8-7-11-35(34)38/h4-19,25,28-29,37,39-43,45,56-57,64-65H,20-24,26-27,54H2,1-3H3,(H2,55,66)(H,58,67)(H,59,71)(H,60,69)(H,61,68)(H,62,70)(H,63,72)/t29-,37+,39+,40+,41+,42-,43+,45+/m1/s1/i53-2
SMILES:CC(NCc1ccc(cc1)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(c(c1)[125I])O)C(=O)N[C@H](C(=O)N)[C@H](O)C)Cc1c[nH]c2c1cccc2)C

Properties:
Formula:C52H63IN10O9S2Atoms:74
Molecular Weight:1161.15Rotatable Bonds:16
H-bond Acceptors:20H-bond Donors:12
logP:5.5703
Targets:
Synonyms:
CHEBI:661760
CHEMBL552988