General Information of the Compound
| Compound ID |
CP0892583
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-dimethylamino-ethyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione TFA
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| Structure |
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| Formula |
C25H28F4N4O4
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| Molecular Weight |
524.515
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| Canonical SMILES |
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCN(C)C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H27FN4O2.C2HF3O2/c1-16-21(18-11-7-8-12-19(18)24)22(29)28(23(30)27(16)14-13-26(2)3)15-20(25)17-9-5-4-6-10-17;3-2(4,5)1(6)7/h4-12,20H,13-15,25H2,1-3H3;(H,6,7)/t20-;/m0./s1
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| InChIKey |
HNZGCSQEKYQWBJ-BDQAORGHSA-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