General Information of the Compound
| Compound ID |
CP0346326
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| Compound Name |
N-[5-[[7-cyano-2-[[2-[2-[2-[2-[2-[[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C56H42F8N8O10S2
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| Molecular Weight |
1203.116
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCCOCCOCCOCC(=O)Nc4nc5ccc(Oc6ccc(F)c(NC(=O)Cc7cccc(c7)C(F)(F)F)c6)c(C#N)c5s4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C56H42F8N8O10S2/c57-39-9-7-35(25-43(39)67-47(73)23-31-3-1-5-33(21-31)55(59,60)61)81-45-13-11-41-51(37(45)27-65)83-53(69-41)71-49(75)29-79-19-17-77-15-16-78-18-20-80-30-50(76)72-54-70-42-12-14-46(38(28-66)52(42)84-54)82-36-8-10-40(58)44(26-36)68-48(74)24-32-4-2-6-34(22-32)56(62,63)64/h1-14,21-22,25-26H,15-20,23-24,29-30H2,(H,67,73)(H,68,74)(H,69,71,75)(H,70,72,76)
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| InChIKey |
JBKXBZAINDVBQY-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