General Information of the Compound
| Compound ID |
CP0506247
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| Compound Name |
2-[[4-[6-chloro-3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1-(2-methoxyethyl)benzimidazole
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| Structure |
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| Formula |
C21H23ClF3N5O
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| Molecular Weight |
453.896
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| Canonical SMILES |
COCCn1c(CN2CCN(CC2)c2nc(Cl)ccc2C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C21H23ClF3N5O/c1-31-13-12-30-17-5-3-2-4-16(17)26-19(30)14-28-8-10-29(11-9-28)20-15(21(23,24)25)6-7-18(22)27-20/h2-7H,8-14H2,1H3
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| InChIKey |
GUBSCGDUBCUOJV-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