General Information of the Compound
| Compound ID |
CP0953779
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1-pentyl-1H-pyrimidine-2,4-dione TFA
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| Structure |
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| Formula |
C26H29F4N3O4
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| Molecular Weight |
523.527
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| Canonical SMILES |
CCCCCn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H28FN3O2.C2HF3O2/c1-3-4-10-15-27-17(2)22(19-13-8-9-14-20(19)25)23(29)28(24(27)30)16-21(26)18-11-6-5-7-12-18;3-2(4,5)1(6)7/h5-9,11-14,21H,3-4,10,15-16,26H2,1-2H3;(H,6,7)/t21-;/m0./s1
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| InChIKey |
WEGYJDXIJJORPL-BOXHHOBZSA-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