General Information of the Compound
| Compound ID |
CP0928983
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| Compound Name |
(E)-1-(2-(2-(2-(thiophen-2-yl)benzylidene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H23N3O2S
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| Molecular Weight |
357.479
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| Canonical SMILES |
O=C(O)C1CCCN(CCN/N=C/c2ccccc2-c2cccs2)C1
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| InChI |
InChI=1S/C19H23N3O2S/c23-19(24)16-6-3-10-22(14-16)11-9-20-21-13-15-5-1-2-7-17(15)18-8-4-12-25-18/h1-2,4-5,7-8,12-13,16,20H,3,6,9-11,14H2,(H,23,24)/b21-13+
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| InChIKey |
UAQGZPIAJNPTLC-FYJGNVAPSA-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