General Information of the Compound
| Compound ID |
CP0888382
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| Compound Name |
N-(3-(5-(2-(6-(4-acetylpiperazin-1-yl)pyridin-3-ylamino)pyrimidin-4-yl)-2-isopropylthiazol-4-yl)phenyl)-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C33H33FN8O3S2
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| Molecular Weight |
672.812
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5ccccc5F)c4)n3)cn2)CC1
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| InChI |
InChI=1S/C33H33FN8O3S2/c1-21(2)32-39-30(23-7-6-8-24(19-23)40-47(44,45)28-10-5-4-9-26(28)34)31(46-32)27-13-14-35-33(38-27)37-25-11-12-29(36-20-25)42-17-15-41(16-18-42)22(3)43/h4-14,19-21,40H,15-18H2,1-3H3,(H,35,37,38)
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| InChIKey |
CIIUGLSRFAGNDX-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