General Information of the Compound
| Compound ID |
CP0470412
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| Compound Name |
2-(5-chloro-2-(4-(3-(dimethylamino)-2,2-dimethylpropoxy)-2-methoxyphenylamino)pyrimidin-4-ylamino)-N-isopropylbenzenesulfonamide
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| Structure |
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| Formula |
C27H37ClN6O4S
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| Molecular Weight |
577.151
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| Canonical SMILES |
COc1cc(OCC(C)(C)CN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1
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| InChI |
InChI=1S/C27H37ClN6O4S/c1-18(2)33-39(35,36)24-11-9-8-10-22(24)30-25-20(28)15-29-26(32-25)31-21-13-12-19(14-23(21)37-7)38-17-27(3,4)16-34(5)6/h8-15,18,33H,16-17H2,1-7H3,(H2,29,30,31,32)
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| InChIKey |
PTWIBIICWMNEDV-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