General Information of the Compound
| Compound ID |
CP0050932
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| Compound Name |
(3aR,9bS)-3-Ethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid amide
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| Structure |
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| Formula |
C15H20N2O
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| Molecular Weight |
244.338
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| Canonical SMILES |
CCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
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| InChI |
InChI=1S/C15H20N2O/c1-2-17-9-8-11-13(17)7-6-10-4-3-5-12(14(10)11)15(16)18/h3-5,11,13H,2,6-9H2,1H3,(H2,16,18)/t11-,13-/m1/s1
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| InChIKey |
DZUXYVDMWRUWQY-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