General Information of the Compound
| Compound ID |
CP0564212
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| Compound Name |
propan-2-yl 2-(1,3-benzothiazole-2-carbonylamino)-3-imidazol-1-ylpropanoate
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| Structure |
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| Formula |
C17H18N4O3S
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| Molecular Weight |
358.423
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| Canonical SMILES |
CC(C)OC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C17H18N4O3S/c1-11(2)24-17(23)13(9-21-8-7-18-10-21)19-15(22)16-20-12-5-3-4-6-14(12)25-16/h3-8,10-11,13H,9H2,1-2H3,(H,19,22)
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| InChIKey |
LHRLGGIETKGGNS-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