General Information of the Compound
| Compound ID |
CP0851897
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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)benzenesulfonamide
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| Structure |
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| Formula |
C33H34N8O3S2
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| Molecular Weight |
654.822
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| Canonical SMILES |
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5ccccc5)c4)n3)cn2)CC1
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| InChI |
InChI=1S/C33H34N8O3S2/c1-22(2)32-38-30(24-8-7-9-25(20-24)39-46(43,44)27-10-5-4-6-11-27)31(45-32)28-14-15-34-33(37-28)36-26-12-13-29(35-21-26)41-18-16-40(17-19-41)23(3)42/h4-15,20-22,39H,16-19H2,1-3H3,(H,34,36,37)
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| InChIKey |
SSDZABHFZHOZNH-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