General Information of the Compound
| Compound ID |
CP0465948
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| Compound Name |
N-(3-ethylphenyl)-4-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C30H27F3N4O
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| Molecular Weight |
516.567
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| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H27F3N4O/c1-3-20-8-6-9-23(17-20)34-29(38)37-16-15-26-25(18-37)27(24-10-5-4-7-19(24)2)36-28(35-26)21-11-13-22(14-12-21)30(31,32)33/h4-14,17H,3,15-16,18H2,1-2H3,(H,34,38)
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| InChIKey |
CAVJYPQRQJHVEV-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