General Information of the Compound
| Compound ID |
CP0470269
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| Compound Name |
N-[1-[4-[[5-chloro-4-[2-(propan-2-ylsulfamoyl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]pyrrolidin-3-yl]-N-methylacetamide
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| Structure |
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| Formula |
C27H34ClN7O4S
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| Molecular Weight |
588.134
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(C1)N(C)C(C)=O
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| InChI |
InChI=1S/C27H34ClN7O4S/c1-17(2)33-40(37,38)25-9-7-6-8-23(25)30-26-21(28)15-29-27(32-26)31-22-11-10-19(14-24(22)39-5)35-13-12-20(16-35)34(4)18(3)36/h6-11,14-15,17,20,33H,12-13,16H2,1-5H3,(H2,29,30,31,32)
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| InChIKey |
QTUCYUUFLOXXGK-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