General Information of the Compound
| Compound ID |
CP0458594
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| Compound Name |
(R)-(5-chloro-6-(3-methyl-4-(5-(4-(trifluoromethyl)phenyl)-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
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| Structure |
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| Formula |
C27H22ClF6N5O
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| Molecular Weight |
581.948
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc(c([nH]1)-c1ccc(cc1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C27H22ClF6N5O/c1-14-12-38(25-19(28)8-15(13-40)11-35-25)6-7-39(14)26-36-23(16-2-4-18(5-3-16)27(32,33)34)24(37-26)17-9-20(29)22(31)21(30)10-17/h2-5,8-11,14,40H,6-7,12-13H2,1H3,(H,36,37)/t14-/m1/s1
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| InChIKey |
XDNXJYNTLHMFAF-CQSZACIVSA-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