General Information of the Compound
| Compound ID |
CP0475042
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| Compound Name |
3-[2-[(2E)-2-(3-oxoinden-1-ylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C19H12N4OS
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| Molecular Weight |
344.399
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| Canonical SMILES |
O=C1C\C(=N/Nc2nc(cs2)-c2cccc(c2)C#N)c2ccccc12
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| InChI |
InChI=1S/C19H12N4OS/c20-10-12-4-3-5-13(8-12)17-11-25-19(21-17)23-22-16-9-18(24)15-7-2-1-6-14(15)16/h1-8,11H,9H2,(H,21,23)/b22-16+
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| InChIKey |
NULNAKJYFWFQIT-CJLVFECKSA-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