General Information of the Compound
| Compound ID |
CP0474149
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| Compound Name |
2-(5-chloro-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)-2-methoxyphenylamino)pyrimidin-4-ylamino)-N-isopropylbenzenesulfonamide
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| Structure |
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| Formula |
C26H34ClN7O3S
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| Molecular Weight |
560.124
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1)N1CCC(C1)N(C)C
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| InChI |
InChI=1S/C26H34ClN7O3S/c1-17(2)32-38(35,36)24-9-7-6-8-22(24)29-25-20(27)15-28-26(31-25)30-21-11-10-18(14-23(21)37-5)34-13-12-19(16-34)33(3)4/h6-11,14-15,17,19,32H,12-13,16H2,1-5H3,(H2,28,29,30,31)
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| InChIKey |
HPYLAXVBJGJTSM-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