General Information of the Compound
| Compound ID |
CP0514640
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| Compound Name |
2-(5-chloro-2-(4-(3-(ethylamino)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 |
CCNC1CCN(C1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)NC(C)C)n2)c(OC)c1
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| InChI |
InChI=1S/C26H34ClN7O3S/c1-5-28-18-12-13-34(16-18)19-10-11-21(23(14-19)37-4)31-26-29-15-20(27)25(32-26)30-22-8-6-7-9-24(22)38(35,36)33-17(2)3/h6-11,14-15,17-18,28,33H,5,12-13,16H2,1-4H3,(H2,29,30,31,32)
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| InChIKey |
LHMIGAGDYPHXSW-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