General Information of the Compound
| Compound ID |
CP0515457
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H21F2N3O2S
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| Molecular Weight |
453.514
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| Canonical SMILES |
Cc1c(-c2cccs2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C24H21F2N3O2S/c1-15-22(21-11-6-12-32-21)23(30)29(14-20(27)16-7-3-2-4-8-16)24(31)28(15)13-17-18(25)9-5-10-19(17)26/h2-12,20H,13-14,27H2,1H3/t20-/m0/s1
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| InChIKey |
RSRYQTUNBBUCHN-FQEVSTJZSA-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