General Information of the Compound
| Compound ID |
CP0963330
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| Compound Name |
methyl(2S)-1-(4-(3-(2-fluoro-3-(propylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C24H32FN7O4S
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| Molecular Weight |
533.63
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cccc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F
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| InChI |
InChI=1S/C24H32FN7O4S/c1-6-12-37(34,35)31-20-9-7-8-17(21(20)25)22-18(14-32(30-22)15(2)3)19-10-11-26-23(29-19)27-13-16(4)28-24(33)36-5/h7-11,14-16,31H,6,12-13H2,1-5H3,(H,28,33)(H,26,27,29)/t16-/m0/s1
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| InChIKey |
RMHZWQZTKKHYCT-INIZCTEOSA-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