General Information of the Compound
| Compound ID |
CP0497520
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-cyclopentylpiperidin-2-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 |
C34H42F2N4O2
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| Molecular Weight |
576.732
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| Canonical SMILES |
Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCCN2C2CCCC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1
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| InChI |
InChI=1S/C34H42F2N4O2/c1-23-13-14-25(24(2)18-23)19-37-17-15-32-29(21-37)33(41)40(20-27-10-5-6-16-38(27)26-8-3-4-9-26)34(42)39(32)22-28-30(35)11-7-12-31(28)36/h7,11-14,18,26-27H,3-6,8-10,15-17,19-22H2,1-2H3
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| InChIKey |
QJMYPUOUIDONAU-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