General Information of the Compound
| Compound ID |
CP0445584
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| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(2-methyl-thiazol-4-yl)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H22F2N4O2S
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| Molecular Weight |
468.529
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| Canonical SMILES |
Cc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C24H22F2N4O2S/c1-14-22(21-13-33-15(2)28-21)23(31)30(12-20(27)16-7-4-3-5-8-16)24(32)29(14)11-17-18(25)9-6-10-19(17)26/h3-10,13,20H,11-12,27H2,1-2H3/t20-/m0/s1
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| InChIKey |
TXJDJAKZBSMUEX-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