General Information of the Compound
| Compound ID |
CP0849021
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| Compound Name |
N-(5,6-dihydro-3H-imidazor[2,1-c]-1,2,4-dithiazol-3-ylidene)-4-tert-butylbenzamide
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| Formula |
C15H17N3OS2
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| Molecular Weight |
319.455
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| Canonical SMILES |
CC(C)(C)c1ccc(C(=O)/N=C2\SSC3=NCCN32)cc1
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| InChI |
InChI=1S/C15H17N3OS2/c1-15(2,3)11-6-4-10(5-7-11)12(19)17-14-18-9-8-16-13(18)20-21-14/h4-7H,8-9H2,1-3H3/b17-14-
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| InChIKey |
HSJQRKBLPVEHAY-VKAVYKQESA-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