General Information of the Compound
| Compound ID |
CP0444554
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| Compound Name |
2-methylpropyl 2-(1,3-benzothiazole-2-carbonylamino)-3-imidazol-1-ylpropanoate
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| Structure |
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| Formula |
C18H20N4O3S
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| Molecular Weight |
372.45
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| Canonical SMILES |
CC(C)COC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C18H20N4O3S/c1-12(2)10-25-18(24)14(9-22-8-7-19-11-22)20-16(23)17-21-13-5-3-4-6-15(13)26-17/h3-8,11-12,14H,9-10H2,1-2H3,(H,20,23)
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| InChIKey |
RDNVIEBJBWYJCN-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