MetaADEDB 2.0 @ LMMD
MOPPEBVCAD protocol
(ZTDIQLZKKLALFM-CRHKGKFQSA-O)
Structure
SMILES
CC[C@]12C=CCN3[C@@H]2[C@@]2([C@H]([C@@]([C@@H]1OC(=O)C)(O)C(=O)OC)N(c1c2ccc(c1OC)[C@]1(C[C@H]2CN(CCc4c1[nH]c1c4cccc1)C[C@](C2)(O)CC)C(=O)OC)C)CC3.OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C.OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.O=CN1c2c(OC)c(ccc2[C@]23[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC.COC(=O)[C@@H]1[C@H]([C@@H]2CN(CCC3C1Nc1c3cccc1)C[C@](C2)(O)CC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)N)O)C.OC[C@@H]1O[C@@H](OC([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2[nH]cnc2)[C@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O.ClCCN(C(=O)NC1CCCCC1)N=O.ClCCN(CCCl)C.CNNCc1ccc(cc1)C(=O)NC(C)C
Molecular Formula:
C291H385Cl3N39O77S3+
Molecular Weight:
5863.940
Log P:
18.9575
Hydrogen Bond Acceptor:
115
Hydrogen Bond Donor:
49
TPSA:
1817.16
CAS Number(s):
N/A
Synonym(s)
1.
MOPPEBVCAD protocol
External Link(s)
MeSHC507380
PubChem Compound56842122
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hodgkin Disease16172458CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120265

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.