General Information of the Compound
| Compound ID |
CP0417664
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| Compound Name |
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl-5-(piperidin-1-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C25H24Cl3N3O
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| Molecular Weight |
488.846
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| Canonical SMILES |
Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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| InChIKey |
DNWHVDRGTKSNCK-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2