General Information of the Compound
| Compound ID |
CP0551247
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| Compound Name |
1-(2,6-difluorobenzyl)-6-(4-chloro-2-methylbenzyl)-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 |
C32H34ClF2N5O2
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| Molecular Weight |
594.106
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(Cl)cc3C)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C32H34ClF2N5O2/c1-22-18-24(33)10-9-23(22)19-38-15-12-30-27(20-38)31(41)39(17-16-37(2)14-11-25-6-3-4-13-36-25)32(42)40(30)21-26-28(34)7-5-8-29(26)35/h3-10,13,18H,11-12,14-17,19-21H2,1-2H3
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| InChIKey |
UKFXMFODKVUUPA-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