General Information of the Compound
| Compound ID |
CP0861444
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| Compound Name |
4-Benzothiazol-2-yl-N5-ethyl-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C12H13N5S
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| Molecular Weight |
259.338
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| Canonical SMILES |
CCNc1[nH]nc(N)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C12H13N5S/c1-2-14-11-9(10(13)16-17-11)12-15-7-5-3-4-6-8(7)18-12/h3-6H,2H2,1H3,(H4,13,14,16,17)
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| InChIKey |
JAHVGBFYMGAVII-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