General Information of the Compound
| Compound ID |
CP0513956
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| Compound Name |
2-[[4-[3-chloro-6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-ethylbenzimidazole
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| Structure |
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| Formula |
C20H21ClF3N5
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| Molecular Weight |
423.87
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| Canonical SMILES |
CCn1c(CN2CCN(CC2)c2nc(ccc2Cl)C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C20H21ClF3N5/c1-2-29-16-6-4-3-5-15(16)25-18(29)13-27-9-11-28(12-10-27)19-14(21)7-8-17(26-19)20(22,23)24/h3-8H,2,9-13H2,1H3
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| InChIKey |
SENYYMQSVXMKIL-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