General Information of the Compound
| Compound ID |
CP0441297
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| Compound Name |
4-(3-chlorophenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
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| Structure |
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| Formula |
C27H24ClN5O
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| Molecular Weight |
469.976
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(-c4cccc(Cl)c4)c3C2)-c2cccnc2)c1
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| InChI |
InChI=1S/C27H24ClN5O/c1-2-18-6-3-10-22(14-18)30-27(34)33-13-11-24-23(17-33)25(19-7-4-9-21(28)15-19)32-26(31-24)20-8-5-12-29-16-20/h3-10,12,14-16H,2,11,13,17H2,1H3,(H,30,34)
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| InChIKey |
LGJFKJZACFWJMH-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