General Information of the Compound
| Compound ID |
CP0052261
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| Compound Name |
N-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C33H31N9
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| Molecular Weight |
553.674
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| Canonical SMILES |
CNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C33H31N9/c1-34-33-36-20-26-19-27(23-7-3-2-4-8-23)29(37-30(26)39-33)24-12-10-22(11-13-24)21-42-17-14-25(15-18-42)31-38-32(41-40-31)28-9-5-6-16-35-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,38,40,41)(H,34,36,37,39)
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| InChIKey |
BGRGYPWSRFVWGD-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