General Information of the Compound
| Compound ID |
CP0166638
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| Compound Name |
2-(4-(1-methylazetidin-3-yl)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 |
C40H43N11
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| Molecular Weight |
677.861
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| Canonical SMILES |
CN1CC(C1)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C40H43N11/c1-48-26-33(27-48)50-19-21-51(22-20-50)40-42-24-32-23-34(29-7-3-2-4-8-29)36(43-37(32)45-40)30-12-10-28(11-13-30)25-49-17-14-31(15-18-49)38-44-39(47-46-38)35-9-5-6-16-41-35/h2-13,16,23-24,31,33H,14-15,17-22,25-27H2,1H3,(H,44,46,47)
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| InChIKey |
QIMZVHOQNSASMQ-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