General Information of the Compound
| Compound ID |
CP0451951
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| Compound Name |
(7E)-7-[(4-chlorophenyl)methylidene]-1-(3,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-5-[2-(1,2,4-triazol-1-yl)acetyl]-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H25Cl3N8O2
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| Molecular Weight |
647.954
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)Cn1cncn1)-c1ccc(Cl)c(Cl)c1)c1ccccn1
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| InChI |
InChI=1S/C31H25Cl3N8O2/c1-19(27-4-2-3-11-36-27)38-31(44)29-24-15-40(28(43)16-41-18-35-17-37-41)14-21(12-20-5-7-22(32)8-6-20)30(24)42(39-29)23-9-10-25(33)26(34)13-23/h2-13,17-19H,14-16H2,1H3,(H,38,44)/b21-12+/t19-/m1/s1
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| InChIKey |
MANFWCLBSHQVMU-MRUVXERFSA-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