General Information of the Compound
| Compound ID |
CP0451947
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-phenylethyl]-5-[2-(tetrazol-1-yl)acetyl]-4,6-dihydropyrazolo[4,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H25Cl2FN8O2
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| Molecular Weight |
631.499
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)Cn1cnnn1)-c1ccc(Cl)cc1Cl)c1ccccc1
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| InChI |
InChI=1S/C31H25Cl2FN8O2/c1-19(21-5-3-2-4-6-21)36-31(44)29-25-16-40(28(43)17-41-18-35-38-39-41)15-22(13-20-7-10-24(34)11-8-20)30(25)42(37-29)27-12-9-23(32)14-26(27)33/h2-14,18-19H,15-17H2,1H3,(H,36,44)/b22-13+/t19-/m1/s1
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| InChIKey |
VEYGRJRSTNWDFO-PPRFWAEMSA-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