General Information of the Compound
| Compound ID |
CP0858672
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| Compound Name |
(+/-)-Trans-6,6a,7,8,9,13b-hexahydrobenzo[d]chromeno[3,4-b]azepine-11,12-diol hydrobromide
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| Structure |
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| Formula |
C17H18BrNO3
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| Molecular Weight |
364.239
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| Canonical SMILES |
Br.Oc1cc2c(cc1O)[C@H]1c3ccccc3OC[C@@H]1NCC2
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| InChI |
InChI=1S/C17H17NO3.BrH/c19-14-7-10-5-6-18-13-9-21-16-4-2-1-3-11(16)17(13)12(10)8-15(14)20;/h1-4,7-8,13,17-20H,5-6,9H2;1H/t13-,17+;/m0./s1
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| InChIKey |
KJQQOYDHXMWIQZ-OZIFAFRSSA-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