General Information of the Compound
| Compound ID |
CP0540223
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| Compound Name |
1-(2,6-difluorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-6-((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C33H35F2N7O2
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| Molecular Weight |
599.686
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3nc4ccccc4n3C)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C33H35F2N7O2/c1-38(16-13-23-8-5-6-15-36-23)18-19-41-32(43)25-20-40(22-31-37-28-11-3-4-12-30(28)39(31)2)17-14-29(25)42(33(41)44)21-24-26(34)9-7-10-27(24)35/h3-12,15H,13-14,16-22H2,1-2H3
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| InChIKey |
UJIDFRPEHKUDFQ-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