General Information of the Compound
| Compound ID |
CP0403504
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| Compound Name |
1-(2,6-Difluoro-benzyl)-3-[(R)-2-(4-methoxy-benzylamino)-1-methyl-ethyl]-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H31F2N3O4
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| Molecular Weight |
535.591
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| Canonical SMILES |
COc1ccc(CNC[C@@H](C)n2c(=O)c(c(C)n(Cc3c(F)cccc3F)c2=O)-c2cccc(OC)c2)cc1
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| InChI |
InChI=1S/C30H31F2N3O4/c1-19(16-33-17-21-11-13-23(38-3)14-12-21)35-29(36)28(22-7-5-8-24(15-22)39-4)20(2)34(30(35)37)18-25-26(31)9-6-10-27(25)32/h5-15,19,33H,16-18H2,1-4H3/t19-/m1/s1
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| InChIKey |
IFXPGGOXLMDWHJ-LJQANCHMSA-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