General Information of the Compound
| Compound ID |
CP0419752
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| Compound Name |
1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
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| Structure |
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| Formula |
C21H20N2O2
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| Molecular Weight |
332.403
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| Canonical SMILES |
O=C(N1CCC2(CC1)OCc1ccccc21)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H20N2O2/c24-20(17-13-22-19-8-4-2-6-16(17)19)23-11-9-21(10-12-23)18-7-3-1-5-15(18)14-25-21/h1-8,13,22H,9-12,14H2
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| InChIKey |
HQZJVHRNLPZSAT-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: PT06207, Vasopressin V1a receptor