General Information of the Compound
| Compound ID |
CP0211158
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| Compound Name |
(3aR,9bS)-9-Bromo-3-butyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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| Structure |
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| Formula |
C16H22BrN
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| Molecular Weight |
308.263
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| Canonical SMILES |
CCCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
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| InChI |
InChI=1S/C16H22BrN/c1-2-3-10-18-11-9-13-15(18)8-7-12-5-4-6-14(17)16(12)13/h4-6,13,15H,2-3,7-11H2,1H3/t13-,15-/m1/s1
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| InChIKey |
BRQVGMJTCISYCF-UKRRQHHQSA-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