General Information of the Compound
| Compound ID |
CP0691759
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| Compound Name |
N-(3-(5-(2-(3-(dimethylamino)propylamino)pyrimidin-4-yl)-2-isopropylthiazol-4-yl)phenyl)-3-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C27H31FN6O2S2
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| Molecular Weight |
554.717
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NCCCN(C)C)n2)s1
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| InChI |
InChI=1S/C27H31FN6O2S2/c1-18(2)26-32-24(25(37-26)23-12-14-30-27(31-23)29-13-7-15-34(3)4)19-8-5-10-21(16-19)33-38(35,36)22-11-6-9-20(28)17-22/h5-6,8-12,14,16-18,33H,7,13,15H2,1-4H3,(H,29,30,31)
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| InChIKey |
GIHLWYFACNOAGB-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