General Information of the Compound
| Compound ID |
CP0433004
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| Compound Name |
(7E)-1-(3,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-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 |
C30H24Cl2FN9O2
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| Molecular Weight |
632.487
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)Cn1cnnn1)-c1ccc(Cl)c(Cl)c1)c1ccccn1
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| InChI |
InChI=1S/C30H24Cl2FN9O2/c1-18(26-4-2-3-11-34-26)36-30(44)28-23-15-40(27(43)16-41-17-35-38-39-41)14-20(12-19-5-7-21(33)8-6-19)29(23)42(37-28)22-9-10-24(31)25(32)13-22/h2-13,17-18H,14-16H2,1H3,(H,36,44)/b20-12+/t18-/m1/s1
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| InChIKey |
AVYOWJKCNOVUJC-BAOGCXAUSA-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