General Information of the Compound
| Compound ID |
CP0400120
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(2-(methyl(pyridin-2-ylmethyl)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 |
C32H35F2N5O2
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| Molecular Weight |
559.661
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| Canonical SMILES |
CN(CCn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O)Cc1ccccn1
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| InChI |
InChI=1S/C32H35F2N5O2/c1-22-10-11-24(23(2)17-22)18-37-14-12-30-27(20-37)31(40)38(16-15-36(3)19-25-7-4-5-13-35-25)32(41)39(30)21-26-28(33)8-6-9-29(26)34/h4-11,13,17H,12,14-16,18-21H2,1-3H3
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| InChIKey |
XGURAZVFVAKWSE-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