General Information of the Compound
| Compound ID |
CP0458518
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| Compound Name |
(R)-(5-chloro-6-(3-methyl-4-(4-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)methanol
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| Structure |
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| Formula |
C27H25ClF3N5O
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| Molecular Weight |
527.978
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc(c([nH]1)-c1ccc(cc1)C(F)(F)F)-c1ccccc1)c1ncc(CO)cc1Cl
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| InChI |
InChI=1S/C27H25ClF3N5O/c1-17-15-35(25-22(28)13-18(16-37)14-32-25)11-12-36(17)26-33-23(19-5-3-2-4-6-19)24(34-26)20-7-9-21(10-8-20)27(29,30)31/h2-10,13-14,17,37H,11-12,15-16H2,1H3,(H,33,34)/t17-/m1/s1
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| InChIKey |
NFMZQAXMFQBLNU-QGZVFWFLSA-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