General Information of the Compound
| Compound ID |
CP0542954
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| Compound Name |
N-[(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C22H20N4O4S2
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| Molecular Weight |
468.56
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(c1)-c1cn2ccsc2n1
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| InChI |
InChI=1S/C22H20N4O4S2/c1-28-17-10-14(11-18(29-2)19(17)30-3)20(27)25-21(31)23-15-6-4-5-13(9-15)16-12-26-7-8-32-22(26)24-16/h4-12H,1-3H3,(H2,23,25,27,31)
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| InChIKey |
PHDSFVUKDSNSNP-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