General Information of the Compound
| Compound ID |
CP0963331
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| Compound Name |
Methyl N-[(2S)-1-[(4-{3-[5-chloro-2-fluoro-3-(propane-1-sulfonamido)phenyl]-1-(propan-2-yl)-1H-pyrazol-4-yl}pyrimidin-2-yl)amino]propan-2-yl]carbamate
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| Structure |
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| Formula |
C24H31ClFN7O4S
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| Molecular Weight |
568.075
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F
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| InChI |
InChI=1S/C24H31ClFN7O4S/c1-6-9-38(35,36)32-20-11-16(25)10-17(21(20)26)22-18(13-33(31-22)14(2)3)19-7-8-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-8,10-11,13-15,32H,6,9,12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1
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| InChIKey |
IFUNYGIIWVIYAY-HNNXBMFYSA-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