General Information of the Compound
| Compound ID |
CP0444726
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| Compound Name |
1-(2,6-difluorobenzyl)-6-(4-tert-butylbenzyl)-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 |
C35H41F2N5O2
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| Molecular Weight |
601.742
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3ccc(cc3)C(C)(C)C)CCc2n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C35H41F2N5O2/c1-35(2,3)26-13-11-25(12-14-26)22-40-19-16-32-29(23-40)33(43)41(21-20-39(4)18-15-27-8-5-6-17-38-27)34(44)42(32)24-28-30(36)9-7-10-31(28)37/h5-14,17H,15-16,18-24H2,1-4H3
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| InChIKey |
IEKFIZICLFDORP-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