General Information of the Compound
| Compound ID |
CP0444777
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-isobutylpiperidin-3-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C33H42F2N4O2
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| Molecular Weight |
564.721
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| Canonical SMILES |
CC(C)CN1CCCC(Cn2c(=O)c3CN(Cc4ccc(C)cc4C)CCc3n(Cc3c(F)cccc3F)c2=O)C1
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| InChI |
InChI=1S/C33H42F2N4O2/c1-22(2)16-36-13-6-7-25(17-36)18-39-32(40)28-20-37(19-26-11-10-23(3)15-24(26)4)14-12-31(28)38(33(39)41)21-27-29(34)8-5-9-30(27)35/h5,8-11,15,22,25H,6-7,12-14,16-21H2,1-4H3
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| InChIKey |
RGEVUXIWFRBFJB-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