General Information of the Compound
| Compound ID |
CP0197920
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| Compound Name |
(3aR,9bS)-9-Bromo-3-ethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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| Structure |
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| Formula |
C14H18BrN
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| Molecular Weight |
280.209
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| Canonical SMILES |
CCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
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| InChI |
InChI=1S/C14H18BrN/c1-2-16-9-8-11-13(16)7-6-10-4-3-5-12(15)14(10)11/h3-5,11,13H,2,6-9H2,1H3/t11-,13-/m1/s1
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| InChIKey |
VEWQTYIHSDLEIL-DGCLKSJQSA-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