General Information of the Compound
| Compound ID |
CP0845482
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| Compound Name |
3-[2-((S)-Cyclobutylamino)-propyl]-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione hydrochloride
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| Structure |
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| Formula |
C26H29ClF3N3O3
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| Molecular Weight |
523.983
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| Canonical SMILES |
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NC3CCC3)c2=O)c1F.Cl
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| InChI |
InChI=1S/C26H28F3N3O3.ClH/c1-15(30-17-7-4-8-17)13-32-25(33)23(18-9-5-12-22(35-3)24(18)29)16(2)31(26(32)34)14-19-20(27)10-6-11-21(19)28;/h5-6,9-12,15,17,30H,4,7-8,13-14H2,1-3H3;1H/t15-;/m0./s1
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| InChIKey |
VSTWQTBSAACIGV-RSAXXLAASA-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