General Information of the Compound
| Compound ID |
CP0542931
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| Compound Name |
N-[3-[[amino-[(3,4,5-trimethoxybenzoyl)amino]methylidene]amino]phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
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| Structure |
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| Formula |
C23H22N6O5S
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| Molecular Weight |
494.533
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=N)Nc1cccc(NC(=O)c2cn3ccsc3n2)c1
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| InChI |
InChI=1S/C23H22N6O5S/c1-32-17-9-13(10-18(33-2)19(17)34-3)20(30)28-22(24)26-15-6-4-5-14(11-15)25-21(31)16-12-29-7-8-35-23(29)27-16/h4-12H,1-3H3,(H,25,31)(H3,24,26,28,30)
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| InChIKey |
JQZTVMVURSQPAL-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