General Information of the Compound
| Compound ID |
CP0448393
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| Compound Name |
N-[(E)-(2-methylcyclopentylidene)amino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C15H16N4O2S
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| Molecular Weight |
316.386
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| Canonical SMILES |
CC1CCC\C1=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H16N4O2S/c1-10-3-2-4-13(10)17-18-15-16-14(9-22-15)11-5-7-12(8-6-11)19(20)21/h5-10H,2-4H2,1H3,(H,16,18)/b17-13+
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| InChIKey |
PDYXKDJORCGTSQ-GHRIWEEISA-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