General Information of the Compound
| Compound ID |
CP0923970
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| Compound Name |
SID121286576
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| Structure |
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| Formula |
C17H26ClNO4
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| Molecular Weight |
343.851
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| Canonical SMILES |
CCOc1ccc(C(CN2CCOCC2)C(C)=O)cc1OC.Cl
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| InChI |
InChI=1S/C17H25NO4.ClH/c1-4-22-16-6-5-14(11-17(16)20-3)15(13(2)19)12-18-7-9-21-10-8-18;/h5-6,11,15H,4,7-10,12H2,1-3H3;1H
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| InChIKey |
VJKJXUQYSWFLMB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8