General Information of the Compound
| Compound ID |
CP0498370
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| Compound Name |
(S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl)-2-oxoindolin-3-yl)-N,N-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C35H41ClN4O7S
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| Molecular Weight |
697.254
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC
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| InChI |
InChI=1S/C35H41ClN4O7S/c1-37(2)33(41)29-9-8-18-39(29)35(26-13-10-23(19-30(26)46-4)22-38-16-6-7-17-38)27-20-24(36)11-14-28(27)40(34(35)42)48(43,44)32-15-12-25(45-3)21-31(32)47-5/h10-15,19-21,29H,6-9,16-18,22H2,1-5H3/t29-,35-/m0/s1
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| InChIKey |
RIEZNJOLFDSQNS-YTWZBVJHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor