General Information of the Compound
| Compound ID |
CP0484294
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| Compound Name |
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone
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| Structure |
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| Formula |
C25H24FN5OS
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| Molecular Weight |
461.566
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| Canonical SMILES |
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCc3nc(N)sc3CC2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H24FN5OS/c1-16-13-18(7-8-19(16)26)21-14-31(24(28-21)17-5-3-2-4-6-17)15-23(32)30-11-9-20-22(10-12-30)33-25(27)29-20/h2-8,13-14H,9-12,15H2,1H3,(H2,27,29)
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| InChIKey |
WGNSVTSRCFUIGH-UHFFFAOYSA-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