General Information of the Compound
| Compound ID |
CP0546836
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| Compound Name |
US8754233, 3-(5-Amino-4-benzothiazol-2-yl-1H-pyrazol-3-ylamino)-propan-1-ol
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| Structure |
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| Formula |
C13H15N5OS
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| Molecular Weight |
289.364
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| Canonical SMILES |
Nc1n[nH]c(NCCCO)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C13H15N5OS/c14-11-10(12(18-17-11)15-6-3-7-19)13-16-8-4-1-2-5-9(8)20-13/h1-2,4-5,19H,3,6-7H2,(H4,14,15,17,18)
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| InChIKey |
BJXYFCFNVPUUND-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