General Information of the Compound
| Compound ID |
CP0490932
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| Compound Name |
(R)-1-(2,6-difluorobenzyl)-6-(4-chlorobenzyl)-3-(2-(methylamino)-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 |
C30H29ClF2N4O2
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| Molecular Weight |
551.037
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| Canonical SMILES |
CN[C@@H](Cn1c(=O)c2CN(Cc3ccc(Cl)cc3)CCc2n(Cc2c(F)cccc2F)c1=O)c1ccccc1
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| InChI |
InChI=1S/C30H29ClF2N4O2/c1-34-27(21-6-3-2-4-7-21)19-37-29(38)24-17-35(16-20-10-12-22(31)13-11-20)15-14-28(24)36(30(37)39)18-23-25(32)8-5-9-26(23)33/h2-13,27,34H,14-19H2,1H3/t27-/m0/s1
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| InChIKey |
JLFBHKWEJXWJSJ-MHZLTWQESA-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