General Information of the Compound
| Compound ID |
CP0400982
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| Compound Name |
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-(1-pyridin-2-ylcyclopropyl)-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C29H24Cl2N4O
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| Molecular Weight |
515.444
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| Canonical SMILES |
Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2)C(=O)NC2(CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C29H24Cl2N4O/c30-21-9-7-19(8-10-21)18-20-4-3-5-24-26(34-35(27(20)24)23-13-11-22(31)12-14-23)28(36)33-29(15-16-29)25-6-1-2-17-32-25/h1-2,6-14,17-18H,3-5,15-16H2,(H,33,36)/b20-18+
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| InChIKey |
AGFFBJWUVQNKIX-CZIZESTLSA-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