General Information of the Compound
| Compound ID |
CP0501743
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| Compound Name |
(4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-methoxyphenyl}carbonyl)-N-sulfamoyl-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-ene-3'-carboxamide
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| Structure |
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| Formula |
C30H28ClFN4O6S
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| Molecular Weight |
627.094
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| Canonical SMILES |
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(=O)NS(N)(=O)=O)Cc2ccccc12
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| InChI |
InChI=1S/C30H28ClFN4O6S/c1-42-26-14-18(6-9-24(26)34-28(38)22-15-21(32)7-8-23(22)31)29(39)36-13-12-30(16-19-4-2-3-5-25(19)36)11-10-20(17-30)27(37)35-43(33,40)41/h2-9,14-15,17H,10-13,16H2,1H3,(H,34,38)(H,35,37)(H2,33,40,41)/t30-/m0/s1
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| InChIKey |
NJVFMMBNNJQPPG-PMERELPUSA-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor