General Information of the Compound
| Compound ID |
CP0141588
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| Compound Name |
6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C13H14N4S
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| Molecular Weight |
258.35
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| Canonical SMILES |
CCCn1cc(cn1)-c1ccc2nc(N)sc2c1
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| InChI |
InChI=1S/C13H14N4S/c1-2-5-17-8-10(7-15-17)9-3-4-11-12(6-9)18-13(14)16-11/h3-4,6-8H,2,5H2,1H3,(H2,14,16)
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| InChIKey |
RLGMWPYMTNPSRN-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