General Information of the Compound
| Compound ID |
CP0069857
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| Compound Name |
1-(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]pyrimidin-2-yl)piperidin-4-ol
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| Structure |
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| Formula |
C37H37N9O
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| Molecular Weight |
623.765
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| Canonical SMILES |
OC1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C37H37N9O/c47-30-15-20-46(21-16-30)37-39-23-29-22-31(26-6-2-1-3-7-26)33(40-34(29)42-37)27-11-9-25(10-12-27)24-45-18-13-28(14-19-45)35-41-36(44-43-35)32-8-4-5-17-38-32/h1-12,17,22-23,28,30,47H,13-16,18-21,24H2,(H,41,43,44)
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| InChIKey |
DVAZWOXQVNJJPK-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