General Information of the Compound
| Compound ID |
CP0499768
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| Compound Name |
(6-chloro-1H-indol-3-yl)-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethanone
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| Structure |
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| Formula |
C20H18ClN3O2
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| Molecular Weight |
367.836
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| Canonical SMILES |
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1ccncc21
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| InChI |
InChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2
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| InChIKey |
RMKRYUKAFCDHJF-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