General Information of the Compound
| Compound ID |
CP0694682
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| Compound Name |
SID47200506
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| Structure |
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| Formula |
C22H25NO4
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| Molecular Weight |
367.445
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| Canonical SMILES |
COc1ccccc1/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2C1C
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| InChI |
InChI=1S/C22H25NO4/c1-15-18-14-21(27-4)20(26-3)13-17(18)11-12-23(15)22(24)10-9-16-7-5-6-8-19(16)25-2/h5-10,13-15H,11-12H2,1-4H3/b10-9+
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| InChIKey |
GPYJYIQJVXMUPE-MDZDMXLPSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3