General Information of the Compound
| Compound ID |
CP0445997
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| Compound Name |
(7E)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C31H28Cl2FN5O
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| Molecular Weight |
576.503
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| Canonical SMILES |
Fc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C31H28Cl2FN5O/c32-22-9-12-27(26(33)19-22)39-30-21(18-20-7-10-23(34)11-8-20)4-3-5-25(30)29(37-39)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+
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| InChIKey |
IIOXTISPTRJWDM-DYTRJAOYSA-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