General Information of the Compound
| Compound ID |
CP0177911
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| Compound Name |
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C17H14N4S
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| Molecular Weight |
306.394
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| Canonical SMILES |
Nc1nc2ccc(cc2s1)-c1cnn(Cc2ccccc2)c1
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| InChI |
InChI=1S/C17H14N4S/c18-17-20-15-7-6-13(8-16(15)22-17)14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,20)
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| InChIKey |
BYTQGWNNPKNUGP-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