General Information of the Compound
| Compound ID |
CP0444724
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| Compound Name |
6-(2,4-dimethylbenzyl)-1-(2,6-difluorobenzyl)-3-(piperidin-3-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 |
C29H34F2N4O2
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| Molecular Weight |
508.613
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| Canonical SMILES |
Cc1ccc(CN2CCc3c(C2)c(=O)n(CC2CCCNC2)c(=O)n3Cc2c(F)cccc2F)c(C)c1
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| InChI |
InChI=1S/C29H34F2N4O2/c1-19-8-9-22(20(2)13-19)16-33-12-10-27-24(17-33)28(36)35(15-21-5-4-11-32-14-21)29(37)34(27)18-23-25(30)6-3-7-26(23)31/h3,6-9,13,21,32H,4-5,10-12,14-18H2,1-2H3
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| InChIKey |
NNYSCEKARXXACN-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