General Information of the Compound
| Compound ID |
CP0566367
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| Compound Name |
US8754233, N3-(4-Amino-phenyl)-4-benzothiazol-2-yl-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C16H14N6S
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| Molecular Weight |
322.397
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| Canonical SMILES |
Nc1n[nH]c(Nc2ccc(N)cc2)c1-c1nc2ccccc2s1
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| InChI |
InChI=1S/C16H14N6S/c17-9-5-7-10(8-6-9)19-15-13(14(18)21-22-15)16-20-11-3-1-2-4-12(11)23-16/h1-8H,17H2,(H4,18,19,21,22)
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| InChIKey |
PLSYJNIKYWCABG-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