General Information of the Compound
| Compound ID |
CP0497519
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-benzylpiperidin-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 |
C36H40F2N4O2
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| Molecular Weight |
598.738
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| Canonical SMILES |
Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCCN2Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)c(C)c1
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| InChI |
InChI=1S/C36H40F2N4O2/c1-25-14-15-28(26(2)19-25)21-39-18-16-34-31(23-39)35(43)42(36(44)41(34)24-30-32(37)12-8-13-33(30)38)22-29-11-6-7-17-40(29)20-27-9-4-3-5-10-27/h3-5,8-10,12-15,19,29H,6-7,11,16-18,20-24H2,1-2H3
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| InChIKey |
ISNGXRPSKCDGJO-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