General Information of the Compound
| Compound ID |
CP0266200
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| Compound Name |
(S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamido)phenyl dimethylcarbamate
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| Structure |
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| Formula |
C22H27N7O3
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| Molecular Weight |
437.504
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12
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| InChI |
InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1
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| InChIKey |
MVPARBNSRQJBEM-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