General Information of the Compound
| Compound ID |
CP0947270
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1-(2-methyl-benzyl)-1H-pyrimidine-2,4-dione TFA
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| Structure |
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| Formula |
C29H27F4N3O4
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| Molecular Weight |
557.544
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| Canonical SMILES |
Cc1ccccc1Cn1c(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/C27H26FN3O2.C2HF3O2/c1-18-10-6-7-13-21(18)16-30-19(2)25(22-14-8-9-15-23(22)28)26(32)31(27(30)33)17-24(29)20-11-4-3-5-12-20;3-2(4,5)1(6)7/h3-15,24H,16-17,29H2,1-2H3;(H,6,7)/t24-;/m0./s1
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| InChIKey |
OLTULMYTNNSGHW-JIDHJSLPSA-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