General Information of the Compound
| Compound ID |
CP0050979
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| Compound Name |
(3aR,9bS)-3-Isobutyl-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 |
C17H24N2O
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| Molecular Weight |
272.392
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| Canonical SMILES |
CC(C)CN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
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| InChI |
InChI=1S/C17H24N2O/c1-11(2)10-19-9-8-13-15(19)7-6-12-4-3-5-14(16(12)13)17(18)20/h3-5,11,13,15H,6-10H2,1-2H3,(H2,18,20)/t13-,15-/m1/s1
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| InChIKey |
MHDYVLNVEGHSGG-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