General Information of the Compound
| Compound ID |
CP0559970
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| Compound Name |
US8754233, 4-Benzothiazol-2-yl-N3-(3-dimethylamino-propyl)-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C15H20N6S
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| Molecular Weight |
316.434
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| Canonical SMILES |
CN(C)CCCNc1[nH]nc(N)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C15H20N6S/c1-21(2)9-5-8-17-14-12(13(16)19-20-14)15-18-10-6-3-4-7-11(10)22-15/h3-4,6-7H,5,8-9H2,1-2H3,(H4,16,17,19,20)
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| InChIKey |
JDXRQOFYLUYCEK-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