General Information of the Compound
| Compound ID |
CP0407722
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| Compound Name |
4-[2-methyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]benzene-1,3-diol
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| Structure |
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| Formula |
C17H18N2O2
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| Molecular Weight |
282.343
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| Canonical SMILES |
CN1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
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| InChI |
InChI=1S/C17H18N2O2/c1-11-5-3-4-6-13(11)16-10-15(18-19(16)2)14-8-7-12(20)9-17(14)21/h3-9,16,20-21H,10H2,1-2H3
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| InChIKey |
BXCPXQFMCGYSKV-UHFFFAOYSA-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