General Information of the Compound
| Compound ID |
CP0553888
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| Compound Name |
N-[5-[[7-cyano-2-[[2-[2-[[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]amino]-2-oxoethoxy]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 |
C50H30F8N8O7S2
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| Molecular Weight |
1070.957
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCC(=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/C50H30F8N8O7S2/c51-33-9-7-29(19-37(33)61-41(67)17-25-3-1-5-27(15-25)49(53,54)55)72-39-13-11-35-45(31(39)21-59)74-47(63-35)65-43(69)23-71-24-44(70)66-48-64-36-12-14-40(32(22-60)46(36)75-48)73-30-8-10-34(52)38(20-30)62-42(68)18-26-4-2-6-28(16-26)50(56,57)58/h1-16,19-20H,17-18,23-24H2,(H,61,67)(H,62,68)(H,63,65,69)(H,64,66,70)
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| InChIKey |
SEQMSKIFWAKWCZ-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