General Information of the Compound
| Compound ID |
CP0391496
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| Compound Name |
US8754233, 5-(4-Amino-phenyl)-4-benzothiazol-2-yl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C16H13N5S
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| Molecular Weight |
307.382
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| Canonical SMILES |
Nc1[nH]nc(c1-c1nc2ccccc2s1)-c1ccc(N)cc1
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| InChI |
InChI=1S/C16H13N5S/c17-10-7-5-9(6-8-10)14-13(15(18)21-20-14)16-19-11-3-1-2-4-12(11)22-16/h1-8H,17H2,(H3,18,20,21)
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| InChIKey |
CZHVNYXYWWFVBA-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