General Information of the Compound
| Compound ID |
CP0379178
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| Compound Name |
[6-chloro-1-(1-methylpiperidin-4-yl)indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
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| Structure |
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| Formula |
C27H30ClN3O2
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| Molecular Weight |
464.009
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| Canonical SMILES |
CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3
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| InChIKey |
XGRPTTMNFURMQP-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