General Information of the Compound
| Compound ID |
CP0518708
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| Compound Name |
3-phenyl-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C17H13N5OS
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| Molecular Weight |
335.392
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| Canonical SMILES |
Sc1nc2cc(NC(=O)c3cc([nH]n3)-c3ccccc3)ccc2[nH]1
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| InChI |
InChI=1S/C17H13N5OS/c23-16(15-9-13(21-22-15)10-4-2-1-3-5-10)18-11-6-7-12-14(8-11)20-17(24)19-12/h1-9H,(H,18,23)(H,21,22)(H2,19,20,24)
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| InChIKey |
CTPGIOYSJRXAJY-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