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Name:CHEMBL216773
PubChem ID:44405146
Pathway:Show KEGG pathways
InChI:InChI=1S/C52H63Cl2N5O9S2/c1-6-57(7-2)35-15-19-39-46(28-35)68-47-29-36(58(8-3)9-4)16-20-40(47)49(39)41-21-18-38(30-48(41)70(64,65)66)69(62,63)56-31-32-10-12-33(13-11-32)51(60)55-24-25-59-37-17-23-45(59)50(52(61)67-5)42(27-37)34-14-22-43(53)44(54)26-34/h14-16,18-22,26,28-30,32-33,37,42,45,50,56H,6-13,17,23-25,27,31H2,1-5H3,(H-,55,60,64,65,66)/t32?,33?,37?,42-,45?,50+/m1/s1
SMILES:COC(=O)[C@@H]1C2CCC(N2CCNC(=O)C2CCC(CC2)CNS(=O)(=O)c2ccc(c(c2)S(=O)(=O)[O-])c2c3ccc(=[N+](CC)CC)cc3oc3c2ccc(c3)N(CC)CC)C[C@@H]1c1ccc(c(c1)Cl)Cl

Properties:
Formula:C52H63Cl2N5O9S2Atoms:70
Molecular Weight:1037.12Rotatable Bonds:19
H-bond Acceptors:13H-bond Donors:2
logP:10.9656
Targets:
Synonyms:
CHEBI:431966
CHEMBL216773