General Information of the Compound
| Compound ID |
CP0433346
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| Compound Name |
1-(2,6-difluorobenzyl)-6-(4-(ethylthio)benzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C33H37F2N5O2S
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| Molecular Weight |
605.755
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| Canonical SMILES |
CCSc1ccc(CN2CCc3c(C2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n3Cc2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C33H37F2N5O2S/c1-3-43-26-12-10-24(11-13-26)21-38-18-15-31-28(22-38)32(41)39(20-19-37(2)17-14-25-7-4-5-16-36-25)33(42)40(31)23-27-29(34)8-6-9-30(27)35/h4-13,16H,3,14-15,17-23H2,1-2H3
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| InChIKey |
RJBKPNBOIDAQBD-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