General Information of the Compound
| Compound ID |
CP0499005
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| Compound Name |
N-(3-ethylphenyl)-4-(2-methoxyphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C28H27N5O2
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| Molecular Weight |
465.557
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2OC)-c2cccnc2)c1
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| InChI |
InChI=1S/C28H27N5O2/c1-3-19-8-6-10-21(16-19)30-28(34)33-15-13-24-23(18-33)26(22-11-4-5-12-25(22)35-2)32-27(31-24)20-9-7-14-29-17-20/h4-12,14,16-17H,3,13,15,18H2,1-2H3,(H,30,34)
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| InChIKey |
TYUJLENLIPTJME-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