General Information of the Compound
| Compound ID |
CP0538425
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| Compound Name |
US8754233, 5-(3-Amino-propyl)-4-benzothiazol-2-yl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C13H15N5S
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| Molecular Weight |
273.365
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| Canonical SMILES |
NCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)
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| InChIKey |
YHCLQAVKRVLZRL-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