General Information of the Compound
| Compound ID |
CP0237350
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| Compound Name |
(3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid benzylamide
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)NCc3ccccc3)c21
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| InChI |
InChI=1S/C23H28N2O/c1-2-14-25-15-13-19-21(25)12-11-18-9-6-10-20(22(18)19)23(26)24-16-17-7-4-3-5-8-17/h3-10,19,21H,2,11-16H2,1H3,(H,24,26)/t19-,21-/m1/s1
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| InChIKey |
WODGNNDXZXXSSM-TZIWHRDSSA-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