General Information of the Compound
| Compound ID |
CP0142669
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| Compound Name |
(S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
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| Structure |
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| Formula |
C21H18ClF3N6OS
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| Molecular Weight |
494.93
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| Canonical SMILES |
FC(F)(F)Cn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O
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| InChI |
InChI=1S/C21H18ClF3N6OS/c22-17-6-5-16(33-17)14-7-9-27-19(28-14)29-10-2-3-13(11-29)31-18-15(4-1-8-26-18)30(20(31)32)12-21(23,24)25/h1,4-9,13H,2-3,10-12H2/t13-/m0/s1
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| InChIKey |
MWAWTCMUQLWGIQ-ZDUSSCGKSA-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