General Information of the Compound
| Compound ID |
CP0470057
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| Compound Name |
US8754233, 4-Benzothiazol-2-yl-N3-(1H-imidazol-2-ylmethyl)-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C14H13N7S
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| Molecular Weight |
311.374
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| Canonical SMILES |
Nc1n[nH]c(NCc2ncc[nH]2)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C14H13N7S/c15-12-11(14-19-8-3-1-2-4-9(8)22-14)13(21-20-12)18-7-10-16-5-6-17-10/h1-6H,7H2,(H,16,17)(H4,15,18,20,21)
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| InChIKey |
ARAKKJMWIDLLLO-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