General Information of the Compound
| Compound ID |
CP0447414
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| Compound Name |
(7E)-1-(4-chlorophenyl)-7-[(5-chloropyridin-2-yl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
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| Structure |
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| Formula |
C27H23Cl2N5O
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| Molecular Weight |
504.421
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| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1)c1ccccn1
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| InChI |
InChI=1S/C27H23Cl2N5O/c1-17(24-7-2-3-14-30-24)32-27(35)25-23-6-4-5-18(15-21-11-8-20(29)16-31-21)26(23)34(33-25)22-12-9-19(28)10-13-22/h2-3,7-17H,4-6H2,1H3,(H,32,35)/b18-15+/t17-/m1/s1
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| InChIKey |
GKAXOANONMZCFR-PQMNFKMDSA-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