General Information of the Compound
| Compound ID |
CP0213382
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| Compound Name |
2-(4-(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)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C38H40N10O
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| Molecular Weight |
652.807
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| Canonical SMILES |
OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C38H40N10O/c49-23-22-46-18-20-48(21-19-46)38-40-25-31-24-32(28-6-2-1-3-7-28)34(41-35(31)43-38)29-11-9-27(10-12-29)26-47-16-13-30(14-17-47)36-42-37(45-44-36)33-8-4-5-15-39-33/h1-12,15,24-25,30,49H,13-14,16-23,26H2,(H,42,44,45)
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| InChIKey |
RKJKVLYWYOKZCG-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