General Information of the Compound
| Compound ID |
CP0911375
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione TFA
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| Structure |
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| Formula |
C28H24ClF4N3O4
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| Molecular Weight |
577.962
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| Canonical SMILES |
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1Cl.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H23ClFN3O2.C2HF3O2/c1-17-24(20-12-6-8-14-22(20)28)25(32)31(16-23(29)18-9-3-2-4-10-18)26(33)30(17)15-19-11-5-7-13-21(19)27;3-2(4,5)1(6)7/h2-14,23H,15-16,29H2,1H3;(H,6,7)/t23-;/m0./s1
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| InChIKey |
HIIGGUSXVWUKRS-BQAIUKQQSA-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