General Information of the Compound
| Compound ID |
CP0256933
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| Compound Name |
1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)-N-(pyridin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C32H30N6OS
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| Molecular Weight |
546.7
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| Canonical SMILES |
CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(=O)Nc2ccncc2)cc1
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| InChI |
InChI=1S/C32H30N6OS/c1-40-32-34-20-26-19-28(23-5-3-2-4-6-23)29(36-30(26)37-32)24-9-7-22(8-10-24)21-38-17-13-25(14-18-38)31(39)35-27-11-15-33-16-12-27/h2-12,15-16,19-20,25H,13-14,17-18,21H2,1H3,(H,33,35,39)
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| InChIKey |
XVJPZVILDPXQTC-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