General Information of the Compound
| Compound ID |
CP0423218
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| Compound Name |
(+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
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| Structure |
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| Formula |
C19H21NO2
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| Molecular Weight |
295.382
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| Canonical SMILES |
Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
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| InChI |
InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2
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| InChIKey |
QBUVZVXIRYFENV-UHFFFAOYSA-N
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| CAS |
104422-04-0
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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