General Information of the Compound
| Compound ID |
CP0886721
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| Compound Name |
(rac)-3-({2-[2-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)ethoxy]ethyl}amino)butanoic acid
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(CC(=O)O)NCCOCCN1c2ccccc2CCc2ccccc21
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| InChI |
InChI=1S/C22H28N2O3/c1-17(16-22(25)26)23-12-14-27-15-13-24-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)24/h2-9,17,23H,10-16H2,1H3,(H,25,26)
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| InChIKey |
ZOIPJVQREOAZBU-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