General Information of the Compound
| Compound ID |
CP0537894
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-((1-(pyridin-2-ylmethyl)piperidin-3-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 |
C35H39F2N5O2
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| Molecular Weight |
599.726
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| Canonical SMILES |
Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCN(Cc4ccccn4)C2)c(=O)n3Cc2c(F)cccc2F)c(C)c1
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| InChI |
InChI=1S/C35H39F2N5O2/c1-24-11-12-27(25(2)17-24)20-40-16-13-33-30(22-40)34(43)42(35(44)41(33)23-29-31(36)9-5-10-32(29)37)19-26-7-6-15-39(18-26)21-28-8-3-4-14-38-28/h3-5,8-12,14,17,26H,6-7,13,15-16,18-23H2,1-2H3
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| InChIKey |
RTDFPRBOVNIPCI-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