General Information of the Compound
| Compound ID |
CP0430806
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| Compound Name |
2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)-N-cyclopentylbenzenesulfonamide
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| Structure |
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| Formula |
C26H31ClN6O4S
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| Molecular Weight |
559.092
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC2CCCC2)n1)N1CCOCC1
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| InChI |
InChI=1S/C26H31ClN6O4S/c1-36-23-16-19(33-12-14-37-15-13-33)10-11-21(23)30-26-28-17-20(27)25(31-26)29-22-8-4-5-9-24(22)38(34,35)32-18-6-2-3-7-18/h4-5,8-11,16-18,32H,2-3,6-7,12-15H2,1H3,(H2,28,29,30,31)
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| InChIKey |
QRIYBUWKTAKGOV-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