General Information of the Compound
| Compound ID |
CP0488102
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-{(R)-2-[(thiazol-2-ylmethyl)-amino]-propyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H25F3N4O3S
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| Molecular Weight |
530.572
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C)NCc2nccs2)c1=O
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| InChI |
InChI=1S/C26H25F3N4O3S/c1-15(31-12-22-30-10-11-37-22)13-33-25(34)23(17-6-4-9-21(36-3)24(17)29)16(2)32(26(33)35)14-18-19(27)7-5-8-20(18)28/h4-11,15,31H,12-14H2,1-3H3/t15-/m1/s1
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| InChIKey |
SHSXQSNMXRKMPX-OAHLLOKOSA-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