General Information of the Compound
| Compound ID |
CP0458742
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| Compound Name |
N-pyridin-3-yl-5,6-dihydro-4H-pyrazolo[4,3-e][1,3]benzothiazol-2-amine
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| Structure |
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| Formula |
C13H11N5S
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| Molecular Weight |
269.333
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| Canonical SMILES |
C1Cc2sc(Nc3cccnc3)nc2-c2cn[nH]c12
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| InChI |
InChI=1S/C13H11N5S/c1-2-8(6-14-5-1)16-13-17-12-9-7-15-18-10(9)3-4-11(12)19-13/h1-2,5-7H,3-4H2,(H,15,18)(H,16,17)
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| InChIKey |
YLMCUXMPYWJRLT-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