General Information of the Compound
| Compound ID |
CP0912497
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| Compound Name |
1-(1-(Pyridin-2-yl)ethylidene)-2-(4-(4-nitrophenyl)thiazol-2-yl)hydrazine
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| Structure |
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| Formula |
C16H13N5O2S
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| Molecular Weight |
339.38
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| Canonical SMILES |
C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccn1
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| InChI |
InChI=1S/C16H13N5O2S/c1-11(14-4-2-3-9-17-14)19-20-16-18-15(10-24-16)12-5-7-13(8-6-12)21(22)23/h2-10H,1H3,(H,18,20)/b19-11-
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| InChIKey |
FWQQWVJTIBYQNG-ODLFYWEKSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B