General Information of the Compound
| Compound ID |
CP0422830
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| Compound Name |
1-(3,3-difluoropyrrolidin-1-yl)-N-((4-fluorophenyl)(pyridin-4-yl)methyl)imidazo[1,5-a]pyrazine-3-carboxamide
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| Structure |
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| Formula |
C23H19F3N6O
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| Molecular Weight |
452.44
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| Canonical SMILES |
Fc1ccc(cc1)C(NC(=O)c1nc(N2CCC(F)(F)C2)c2cnccn12)c1ccncc1
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| InChI |
InChI=1S/C23H19F3N6O/c24-17-3-1-15(2-4-17)19(16-5-8-27-9-6-16)29-22(33)21-30-20(18-13-28-10-12-32(18)21)31-11-7-23(25,26)14-31/h1-6,8-10,12-13,19H,7,11,14H2,(H,29,33)
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| InChIKey |
MMHGPBDLBAEOQP-UHFFFAOYSA-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