General Information of the Compound
| Compound ID |
CP0503007
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| Compound Name |
3-((R)-2-Cyclopentyl-2-isopropylamino-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H34F3N3O3
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| Molecular Weight |
529.603
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NC(C)C)C2CCCC2)c1=O
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| InChI |
InChI=1S/C29H34F3N3O3/c1-17(2)33-24(19-9-5-6-10-19)16-35-28(36)26(20-11-7-14-25(38-4)27(20)32)18(3)34(29(35)37)15-21-22(30)12-8-13-23(21)31/h7-8,11-14,17,19,24,33H,5-6,9-10,15-16H2,1-4H3/t24-/m0/s1
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| InChIKey |
ADJBPNHWCPTGMK-DEOSSOPVSA-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