General Information of the Compound
| Compound ID |
CP0279579
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| Compound Name |
2-(4-(methylsulfonyl)piperazin-1-yl)-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidine
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| Structure |
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| Formula |
C37H38N10O2S
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| Molecular Weight |
686.846
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C37H38N10O2S/c1-50(48,49)47-21-19-46(20-22-47)37-39-24-30-23-31(27-7-3-2-4-8-27)33(40-34(30)42-37)28-12-10-26(11-13-28)25-45-17-14-29(15-18-45)35-41-36(44-43-35)32-9-5-6-16-38-32/h2-13,16,23-24,29H,14-15,17-22,25H2,1H3,(H,41,43,44)
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| InChIKey |
CZZAPGYQDMJOEO-UHFFFAOYSA-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