General Information of the Compound
| Compound ID |
CP0474465
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| Compound Name |
1-(2,6-difluorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-6-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C30H32F2N6O2
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| Molecular Weight |
546.622
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccncc3)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C30H32F2N6O2/c1-35(15-10-23-5-2-3-12-34-23)17-18-37-29(39)25-20-36(19-22-8-13-33-14-9-22)16-11-28(25)38(30(37)40)21-24-26(31)6-4-7-27(24)32/h2-9,12-14H,10-11,15-21H2,1H3
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| InChIKey |
BFRSBFHMHSAISB-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