General Information of the Compound
| Compound ID |
CP0496142
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| Compound Name |
3-[(S)-2-(Cyclopropylmethyl-methyl-amino)-1-methyl-ethyl]-1-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H31F2N3O3
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| Molecular Weight |
483.559
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CN(C)CC2CC2)c1=O
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| InChI |
InChI=1S/C27H31F2N3O3/c1-17(14-30(3)15-19-11-12-19)32-26(33)25(20-7-5-8-21(13-20)35-4)18(2)31(27(32)34)16-22-23(28)9-6-10-24(22)29/h5-10,13,17,19H,11-12,14-16H2,1-4H3/t17-/m0/s1
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| InChIKey |
OKPAYFFQWSXKKJ-KRWDZBQOSA-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