General Information of the Compound
| Compound ID |
CP0137566
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| Compound Name |
2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
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| Structure |
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| Formula |
C28H29N5O2
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| Molecular Weight |
467.573
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2c(C)noc2C)c1
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| InChI |
InChI=1S/C28H29N5O2/c1-5-20-10-8-11-21(15-20)29-28(34)33-14-13-24-23(16-33)26(22-12-7-6-9-17(22)2)31-27(30-24)25-18(3)32-35-19(25)4/h6-12,15H,5,13-14,16H2,1-4H3,(H,29,34)
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| InChIKey |
JUFJOGWAHDLPEF-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