General Information of the Compound
| Compound ID |
CP0524362
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| Compound Name |
1-(2,6-difluoro-benzyl)-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H27F2N5O2
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| Molecular Weight |
455.509
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CNCCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C24H27F2N5O2/c1-29(12-9-17-5-2-3-10-28-17)13-14-30-23(32)18-15-27-11-8-22(18)31(24(30)33)16-19-20(25)6-4-7-21(19)26/h2-7,10,27H,8-9,11-16H2,1H3
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| InChIKey |
DEJXGNZNGZIZTD-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