General Information of the Compound
| Compound ID |
CP0211159
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| Compound Name |
(3aR,9bS)-9-Bromo-3-(3-fluoro-propyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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| Structure |
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| Formula |
C15H19BrFN
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| Molecular Weight |
312.226
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| Canonical SMILES |
FCCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
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| InChI |
InChI=1S/C15H19BrFN/c16-13-4-1-3-11-5-6-14-12(15(11)13)7-10-18(14)9-2-8-17/h1,3-4,12,14H,2,5-10H2/t12-,14-/m1/s1
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| InChIKey |
RZBVNNAVUAHSRN-TZMCWYRMSA-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