General Information of the Compound
| Compound ID |
CP0501788
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(2-(isobutyl(methyl)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 |
C30H38F2N4O2
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| Molecular Weight |
524.656
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| Canonical SMILES |
CC(C)CN(C)CCn1c(=O)c2CN(Cc3ccc(C)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C30H38F2N4O2/c1-20(2)16-33(5)13-14-35-29(37)25-18-34(17-23-10-9-21(3)15-22(23)4)12-11-28(25)36(30(35)38)19-24-26(31)7-6-8-27(24)32/h6-10,15,20H,11-14,16-19H2,1-5H3
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| InChIKey |
MTAHMKQTFODPEX-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