General Information of the Compound
| Compound ID |
CP0465013
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| Compound Name |
(2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(3-methoxypyrazin-2-yl)-2-oxoindolin-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H30ClN5O8S
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| Molecular Weight |
632.095
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1nccnc1OC
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| InChI |
InChI=1S/C28H30ClN5O8S/c1-32(2)26(36)21-13-17(35)15-33(21)28(24-25(42-5)31-11-10-30-24)19-12-16(29)6-8-20(19)34(27(28)37)43(38,39)23-9-7-18(40-3)14-22(23)41-4/h6-12,14,17,21,35H,13,15H2,1-5H3/t17-,21+,28-/m1/s1
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| InChIKey |
XSVCEDLKELNLBS-SSVXIMEWSA-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