General Information of the Compound
| Compound ID |
CP0546835
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| Compound Name |
US8754233, 4-(4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-phenol
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| Structure |
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| Formula |
C16H11N3OS
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| Molecular Weight |
293.351
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| Canonical SMILES |
Oc1ccc(cc1)-c1n[nH]cc1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C16H11N3OS/c20-11-7-5-10(6-8-11)15-12(9-17-19-15)16-18-13-3-1-2-4-14(13)21-16/h1-9,20H,(H,17,19)
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| InChIKey |
UEVVDRITIXAXPK-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