General Information of the Compound
| Compound ID |
CP0236379
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| Compound Name |
6-phenyl-2-(piperidin-1-yl)-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 |
C37H37N9
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| Molecular Weight |
607.766
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| Canonical SMILES |
C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2nc(ncc2cc1-c1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C37H37N9/c1-3-9-27(10-4-1)31-23-30-24-39-37(46-19-7-2-8-20-46)42-34(30)40-33(31)28-14-12-26(13-15-28)25-45-21-16-29(17-22-45)35-41-36(44-43-35)32-11-5-6-18-38-32/h1,3-6,9-15,18,23-24,29H,2,7-8,16-17,19-22,25H2,(H,41,43,44)
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| InChIKey |
RYUMJRVPFLUECC-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