General Information of the Compound
| Compound ID |
CP0467007
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| Compound Name |
2-(4-(3-methylpyridin-2-yl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C18H18F3N5
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| Molecular Weight |
361.371
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| Canonical SMILES |
Cc1cccnc1N1CCN(CC1)c1nc2ccc(cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F3N5/c1-12-3-2-6-22-16(12)25-7-9-26(10-8-25)17-23-14-5-4-13(18(19,20)21)11-15(14)24-17/h2-6,11H,7-10H2,1H3,(H,23,24)
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| InChIKey |
RJHPNUQYHFQVKY-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