General Information of the Compound
| Compound ID |
CP0919432
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| Compound Name |
(S)-methyl 1-(4-(1-isopropyl-3-(3-(methylsulfonamido)phenyl)-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
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| Structure |
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| Formula |
C22H29N7O4S
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| Molecular Weight |
487.586
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| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cccc(NS(C)(=O)=O)c2)n1
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| InChI |
InChI=1S/C22H29N7O4S/c1-14(2)29-13-18(20(27-29)16-7-6-8-17(11-16)28-34(5,31)32)19-9-10-23-21(26-19)24-12-15(3)25-22(30)33-4/h6-11,13-15,28H,12H2,1-5H3,(H,25,30)(H,23,24,26)/t15-/m0/s1
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| InChIKey |
MFQUQRONWUFERA-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