General Information of the Compound
| Compound ID |
CP0732540
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| Compound Name |
2-(4-(4-(3-(3-fluorophenylsulfonamido)phenyl)-2-isopropylthiazol-5-yl)pyrimidin-2-ylamino)acetamide
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| Structure |
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| Formula |
C24H23FN6O3S2
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| Molecular Weight |
526.619
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| Canonical SMILES |
CC(C)c1nc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)c(-c2ccnc(NCC(N)=O)n2)s1
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| InChI |
InChI=1S/C24H23FN6O3S2/c1-14(2)23-30-21(22(35-23)19-9-10-27-24(29-19)28-13-20(26)32)15-5-3-7-17(11-15)31-36(33,34)18-8-4-6-16(25)12-18/h3-12,14,31H,13H2,1-2H3,(H2,26,32)(H,27,28,29)
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| InChIKey |
QTLPACLCCZRCHV-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