General Information of the Compound
| Compound ID |
CP0096476
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| Compound Name |
2-[(3S)-3-aminopiperidin-1-yl]-4-[3-(2-cyanopropan-2-yl)-5-phenylanilino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)-c1ccccc1
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| InChI |
InChI=1S/C26H29N7O/c1-26(2,16-27)19-11-18(17-7-4-3-5-8-17)12-21(13-19)31-24-22(23(29)34)14-30-25(32-24)33-10-6-9-20(28)15-33/h3-5,7-8,11-14,20H,6,9-10,15,28H2,1-2H3,(H2,29,34)(H,30,31,32)/t20-/m0/s1
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| InChIKey |
YOJOQDKUUSYTLQ-FQEVSTJZSA-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