General Information of the Compound
| Compound ID |
CP0404515
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| Compound Name |
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanone
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| Structure |
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| Formula |
C26H25FN4OS
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| Molecular Weight |
460.578
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| Canonical SMILES |
Cc1nc2CCN(CCc2s1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C26H25FN4OS/c1-17-14-20(8-9-21(17)27)23-15-31(26(29-23)19-6-4-3-5-7-19)16-25(32)30-12-10-22-24(11-13-30)33-18(2)28-22/h3-9,14-15H,10-13,16H2,1-2H3
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| InChIKey |
RGGHJURLINFQIN-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