General Information of the Compound
| Compound ID |
CP0433271
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| Compound Name |
1-({4-[(2-phenylbenzene)amido]phenyl}carbonyl)-1,2,3,5-tetrahydrospiro[1-benzazepine-4,1'-cyclopentan]-2'-ene-3'-carboxylic acid
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| Structure |
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| Formula |
C35H30N2O4
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| Molecular Weight |
542.635
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| Canonical SMILES |
OC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C35H30N2O4/c38-32(30-12-6-5-11-29(30)24-8-2-1-3-9-24)36-28-16-14-25(15-17-28)33(39)37-21-20-35(19-18-27(23-35)34(40)41)22-26-10-4-7-13-31(26)37/h1-17,23H,18-22H2,(H,36,38)(H,40,41)
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| InChIKey |
KZCXFPCSRNPGPI-UHFFFAOYSA-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