General Information of the Compound
| Compound ID |
CP0466242
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| Compound Name |
N-[5-[[7-cyano-2-[[2-[2-[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]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 |
C62H54F8N8O13S2
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| Molecular Weight |
1335.275
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCCOCCOCCOCCOCCOCCOCC(=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/C62H54F8N8O13S2/c63-45-9-7-41(31-49(45)73-53(79)29-37-3-1-5-39(27-37)61(65,66)67)90-51-13-11-47-57(43(51)33-71)92-59(75-47)77-55(81)35-88-25-23-86-21-19-84-17-15-83-16-18-85-20-22-87-24-26-89-36-56(82)78-60-76-48-12-14-52(44(34-72)58(48)93-60)91-42-8-10-46(64)50(32-42)74-54(80)30-38-4-2-6-40(28-38)62(68,69)70/h1-14,27-28,31-32H,15-26,29-30,35-36H2,(H,73,79)(H,74,80)(H,75,77,81)(H,76,78,82)
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| InChIKey |
HPUDUEDEQOIGLB-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