General Information of the Compound
| Compound ID |
CP0438918
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| Compound Name |
2-chloro-5-fluoro-N-(4-{[(4R)-3'-(1H-imidazol-2-yl)-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-en-1-yl]carbonyl}-2-methoxyphenyl)benzamide
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| Structure |
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| Formula |
C32H28ClFN4O3
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| Molecular Weight |
571.052
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| Canonical SMILES |
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)c2ncc[nH]2)Cc2ccccc12
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| InChI |
InChI=1S/C32H28ClFN4O3/c1-41-28-16-20(6-9-26(28)37-30(39)24-17-23(34)7-8-25(24)33)31(40)38-15-12-32(18-21-4-2-3-5-27(21)38)11-10-22(19-32)29-35-13-14-36-29/h2-9,13-14,16-17,19H,10-12,15,18H2,1H3,(H,35,36)(H,37,39)/t32-/m0/s1
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| InChIKey |
DZOHITITCCWYRX-YTTGMZPUSA-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