General Information of the Compound
| Compound ID |
CP0491214
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| Compound Name |
2-[[4-[6-chloro-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-propylbenzimidazole
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| Structure |
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| Formula |
C21H23ClF3N5
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| Molecular Weight |
437.897
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| Canonical SMILES |
CCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C21H23ClF3N5/c1-2-9-30-17-6-4-3-5-16(17)26-19(30)14-28-10-12-29(13-11-28)20-15(21(23,24)25)7-8-18(22)27-20/h3-8H,2,9-14H2,1H3
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| InChIKey |
CAHBLRHKGVUIMA-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