General Information of the Compound
| Compound ID |
CP0699586
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| Compound Name |
Methyl 6-[3-({[3-(1-Cyano-1-methylethyl)phenyl]carbonyl}-amino)phenoxy]-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazole-7-carboxylate
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| Structure |
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| Formula |
C30H26N4O5S
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| Molecular Weight |
554.628
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| Canonical SMILES |
COC(=O)c1c(Oc2cccc(NC(=O)c3cccc(C(C)(C)C#N)c3)c2)ccc2nc(NC(=O)C3CC3)sc12
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| InChI |
InChI=1S/C30H26N4O5S/c1-30(2,16-31)19-7-4-6-18(14-19)27(36)32-20-8-5-9-21(15-20)39-23-13-12-22-25(24(23)28(37)38-3)40-29(33-22)34-26(35)17-10-11-17/h4-9,12-15,17H,10-11H2,1-3H3,(H,32,36)(H,33,34,35)
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| InChIKey |
UVLIORXAVFYPED-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