General Information of the Compound
| Compound ID |
CP0344552
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| Compound Name |
2-(1H-imidazol-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 |
C35H30N10
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| Molecular Weight |
590.695
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| Canonical SMILES |
C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2nc(ncc2cc1-c1ccccc1)-n1ccnc1
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| InChI |
InChI=1S/C35H30N10/c1-2-6-25(7-3-1)29-20-28-21-38-35(45-19-16-36-23-45)41-32(28)39-31(29)26-11-9-24(10-12-26)22-44-17-13-27(14-18-44)33-40-34(43-42-33)30-8-4-5-15-37-30/h1-12,15-16,19-21,23,27H,13-14,17-18,22H2,(H,40,42,43)
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| InChIKey |
YSEFCBBQCYGIKD-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