General Information of the Compound
| Compound ID |
CP0448889
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| Compound Name |
5-chloro-6-(4-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-piperazin-1-yl)nicotinamide
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| Structure |
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| Formula |
C18H16ClF3N6O
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| Molecular Weight |
424.814
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| Canonical SMILES |
NC(=O)c1cnc(N2CCN(CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C18H16ClF3N6O/c19-12-7-10(15(23)29)9-24-16(12)27-3-5-28(6-4-27)17-25-13-2-1-11(18(20,21)22)8-14(13)26-17/h1-2,7-9H,3-6H2,(H2,23,29)(H,25,26)
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| InChIKey |
LLFJFMRGKQNBGZ-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