General Information of the Compound
| Compound ID |
CP0527051
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| Compound Name |
(5-chloro-6-(4-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
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| Structure |
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| Formula |
C18H17ClF3N5O
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| Molecular Weight |
411.815
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| Canonical SMILES |
OCc1cnc(N2CCN(CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClF3N5O/c19-13-7-11(10-28)9-23-16(13)26-3-5-27(6-4-26)17-24-14-2-1-12(18(20,21)22)8-15(14)25-17/h1-2,7-9,28H,3-6,10H2,(H,24,25)
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| InChIKey |
SOPLFOMSEVSBPO-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