General Information of the Compound
| Compound ID |
CP0121514
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| Compound Name |
2-[(3S)-3-aminopiperidin-1-yl]-4-(3-tert-butyl-5-methylsulfonylanilino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C21H30N6O3S
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| Molecular Weight |
446.577
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| Canonical SMILES |
CC(C)(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H30N6O3S/c1-21(2,3)13-8-15(10-16(9-13)31(4,29)30)25-19-17(18(23)28)11-24-20(26-19)27-7-5-6-14(22)12-27/h8-11,14H,5-7,12,22H2,1-4H3,(H2,23,28)(H,24,25,26)/t14-/m0/s1
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| InChIKey |
WVFCXHSFQFJHHE-AWEZNQCLSA-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