General Information of the Compound
| Compound ID |
CP0069856
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| Compound Name |
2-((R)-3-methylpiperazin-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 |
C37H38N10
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| Molecular Weight |
622.781
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| Canonical SMILES |
C[C@@H]1CN(CCN1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C37H38N10/c1-25-23-47(20-17-38-25)37-40-22-30-21-31(27-7-3-2-4-8-27)33(41-34(30)43-37)28-12-10-26(11-13-28)24-46-18-14-29(15-19-46)35-42-36(45-44-35)32-9-5-6-16-39-32/h2-13,16,21-22,25,29,38H,14-15,17-20,23-24H2,1H3,(H,42,44,45)/t25-/m1/s1
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| InChIKey |
WAEIYUXLBCHFAM-RUZDIDTESA-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