General Information of the Compound
| Compound ID |
CP0406202
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| Compound Name |
3,4,5-trimethoxy-N-[[3-[(4-phenylbenzoyl)amino]phenyl]carbamothioyl]benzamide
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| Structure |
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| Formula |
C30H27N3O5S
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| Molecular Weight |
541.629
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1
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| InChI |
InChI=1S/C30H27N3O5S/c1-36-25-16-22(17-26(37-2)27(25)38-3)29(35)33-30(39)32-24-11-7-10-23(18-24)31-28(34)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-18H,1-3H3,(H,31,34)(H2,32,33,35,39)
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| InChIKey |
IMEJXNWJYWVOFQ-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