General Information of the Compound
| Compound ID |
CP0396640
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| Compound Name |
(4Z)-4-(1-ethylquinolin-2-ylidene)-2-phenyl-5-phenyliminopyrazolidin-3-one
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| Structure |
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| Formula |
C26H22N4O
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| Molecular Weight |
406.489
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| Canonical SMILES |
CCN1\C(C=Cc2ccccc12)=C1/C(=O)N(N=C1Nc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H22N4O/c1-2-29-22-16-10-9-11-19(22)17-18-23(29)24-25(27-20-12-5-3-6-13-20)28-30(26(24)31)21-14-7-4-8-15-21/h3-18H,2H2,1H3,(H,27,28)/b24-23-
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| InChIKey |
LUUCQXGRDYPNRB-VHXPQNKSSA-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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase