General Information of the Compound
| Compound ID |
CP0528857
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-3-[(S)-1-methyl-2-(2-methyl-benzylamino)-ethyl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H31F2N3O3
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| Molecular Weight |
519.592
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCc2ccccc2C)c1=O
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| InChI |
InChI=1S/C30H31F2N3O3/c1-19-9-5-6-10-23(19)17-33-16-20(2)35-29(36)28(22-11-7-12-24(15-22)38-4)21(3)34(30(35)37)18-25-26(31)13-8-14-27(25)32/h5-15,20,33H,16-18H2,1-4H3/t20-/m0/s1
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| InChIKey |
KAXKWVLLPWTTSQ-FQEVSTJZSA-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