General Information of the Compound
| Compound ID |
CP0489317
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| Compound Name |
N-[4-[1'-(methylaminomethyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C36H35N3O2
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| Molecular Weight |
541.695
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| Canonical SMILES |
CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
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| InChI |
InChI=1S/C36H35N3O2/c1-37-25-26-19-20-36(23-26)21-22-39(33-14-8-5-11-29(33)24-36)35(41)28-15-17-30(18-16-28)38-34(40)32-13-7-6-12-31(32)27-9-3-2-4-10-27/h2-18,23,37H,19-22,24-25H2,1H3,(H,38,40)
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| InChIKey |
SYCWDKXMBHMKEH-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