General Information of the Compound
| Compound ID |
CP0465330
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| Compound Name |
3-[(S)-2-(Cyclopropylmethyl-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 |
C26H29F2N3O3
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| Molecular Weight |
469.532
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| Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNCC2CC2)c1=O
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| InChI |
InChI=1S/C26H29F2N3O3/c1-16(13-29-14-18-10-11-18)31-25(32)24(19-6-4-7-20(12-19)34-3)17(2)30(26(31)33)15-21-22(27)8-5-9-23(21)28/h4-9,12,16,18,29H,10-11,13-15H2,1-3H3/t16-/m0/s1
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| InChIKey |
UUOQULXFEYRBEL-INIZCTEOSA-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