General Information of the Compound
| Compound ID |
CP0950608
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| Compound Name |
methyl(2S)-1-(4-(3-(2-chloro-3-(ethylsulfonamido)-4,5-difluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C23H28ClF2N7O4S
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| Molecular Weight |
572.038
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| Canonical SMILES |
CCS(=O)(=O)Nc1c(F)c(F)cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl
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| InChI |
InChI=1S/C23H28ClF2N7O4S/c1-6-38(35,36)32-21-18(24)14(9-16(25)19(21)26)20-15(11-33(31-20)12(2)3)17-7-8-27-22(30-17)28-10-13(4)29-23(34)37-5/h7-9,11-13,32H,6,10H2,1-5H3,(H,29,34)(H,27,28,30)/t13-/m0/s1
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| InChIKey |
FIMRNHGGRIJTEX-ZDUSSCGKSA-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