General Information of the Compound
| Compound ID |
CP0566660
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| Compound Name |
US8754233, 4-Benzothiazol-2-yl-5-(4-nitro-phenyl)-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C16H11N5O2S
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| Molecular Weight |
337.364
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| Canonical SMILES |
Nc1[nH]nc(c1-c1nc2ccccc2s1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H11N5O2S/c17-15-13(16-18-11-3-1-2-4-12(11)24-16)14(19-20-15)9-5-7-10(8-6-9)21(22)23/h1-8H,(H3,17,19,20)
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| InChIKey |
GKSNARXNHGWVNM-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