General Information of the Compound
| Compound ID |
CP0148135
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| Compound Name |
N-[5-[[7-cyano-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]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 |
C58H46F8N8O11S2
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| Molecular Weight |
1247.169
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCCOCCOCCOCCOCC(=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/C58H46F8N8O11S2/c59-41-9-7-37(27-45(41)69-49(75)25-33-3-1-5-35(23-33)57(61,62)63)84-47-13-11-43-53(39(47)29-67)86-55(71-43)73-51(77)31-82-21-19-80-17-15-79-16-18-81-20-22-83-32-52(78)74-56-72-44-12-14-48(40(30-68)54(44)87-56)85-38-8-10-42(60)46(28-38)70-50(76)26-34-4-2-6-36(24-34)58(64,65)66/h1-14,23-24,27-28H,15-22,25-26,31-32H2,(H,69,75)(H,70,76)(H,71,73,77)(H,72,74,78)
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| InChIKey |
CULUGNQEGFYFLV-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