General Information of the Compound
| Compound ID |
CP0533076
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| Compound Name |
1-(2,6-difluorobenzyl)-6-(4-(1H-imidazol-1-yl)benzyl)-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 |
C34H35F2N7O2
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| Molecular Weight |
611.697
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(cc3)-n3ccnc3)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C34H35F2N7O2/c1-39(16-12-26-5-2-3-14-38-26)19-20-42-33(44)29-22-40(21-25-8-10-27(11-9-25)41-18-15-37-24-41)17-13-32(29)43(34(42)45)23-28-30(35)6-4-7-31(28)36/h2-11,14-15,18,24H,12-13,16-17,19-23H2,1H3
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| InChIKey |
VIBZWBFABDSSKX-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