General Information of the Compound
| Compound ID |
CP0573762
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| Compound Name |
(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-(1-pyridin-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydrocyclohepta[c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H30Cl2FN5O
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| Molecular Weight |
590.53
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| Canonical SMILES |
Fc1ccc(\C=C2/CCCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C32H30Cl2FN5O/c33-23-10-13-28(27(34)20-23)40-31-22(19-21-8-11-24(35)12-9-21)5-1-2-6-26(31)30(38-40)32(41)37-25-14-17-39(18-15-25)29-7-3-4-16-36-29/h3-4,7-13,16,19-20,25H,1-2,5-6,14-15,17-18H2,(H,37,41)/b22-19+
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| InChIKey |
GYTHQNSLEWSFBB-ZBJSNUHESA-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