General Information of the Compound
| Compound ID |
CP0475100
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| Compound Name |
2-[[4-[6-chloro-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-methylbenzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C20H18ClF3N6
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| Molecular Weight |
434.853
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| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2cc(ccc12)C#N
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| InChI |
InChI=1S/C20H18ClF3N6/c1-28-16-4-2-13(11-25)10-15(16)26-18(28)12-29-6-8-30(9-7-29)19-14(20(22,23)24)3-5-17(21)27-19/h2-5,10H,6-9,12H2,1H3
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| InChIKey |
QOLLZNUSWOMAQQ-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