General Information of the Compound
| Compound ID |
CP0505283
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| Compound Name |
(R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2-(dimethylamino)-2-phenylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C31H31ClF2N4O2
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| Molecular Weight |
565.064
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| Canonical SMILES |
CN(C)[C@@H](Cn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O)c1ccccc1
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| InChI |
InChI=1S/C31H31ClF2N4O2/c1-35(2)29(22-7-4-3-5-8-22)20-38-30(39)25-18-36(17-21-11-13-23(32)14-12-21)16-15-28(25)37(31(38)40)19-24-26(33)9-6-10-27(24)34/h3-14,29H,15-20H2,1-2H3/t29-/m0/s1
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| InChIKey |
WILRMDUJGFWPPI-LJAQVGFWSA-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