General Information of the Compound
| Compound ID |
CP0433214
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| Compound Name |
N-[[3-(1H-indol-2-yl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C25H23N3O4S
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| Molecular Weight |
461.543
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H23N3O4S/c1-30-21-13-17(14-22(31-2)23(21)32-3)24(29)28-25(33)26-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)27-20/h4-14,27H,1-3H3,(H2,26,28,29,33)
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| InChIKey |
GGOOHMAHPJYVCU-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