General Information of the Compound
| Compound ID |
CP0877424
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| Compound Name |
(E/Z)-4-(naphthalen-2-yl)-2-(2-(1-(thiophen-2-yl)ethylidene)hydrazinyl)thiazole
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| Structure |
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| Formula |
C19H15N3S2
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| Molecular Weight |
349.484
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| Canonical SMILES |
C/C(=N\Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccs1
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| InChI |
InChI=1S/C19H15N3S2/c1-13(18-7-4-10-23-18)21-22-19-20-17(12-24-19)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3,(H,20,22)/b21-13+
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| InChIKey |
HCVZRZGVONNMKF-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B