General Information of the Compound
| Compound ID |
CP0546107
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| Compound Name |
US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
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| Synonyms |
BDBM123923
CHEMBL3680986
SCHEMBL686607
US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
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| Structure |
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| Formula |
C15H14N6S
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| Molecular Weight |
310.386
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| Canonical SMILES |
C(Cc1cnc[nH]1)Nc1[nH]ncc1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
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| InChIKey |
SKFIGKZRFZMUKR-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
Clinical Information about the Compound