General Information of the Compound
| Compound ID |
CP0426662
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| Compound Name |
N-(4-phenylbutyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
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| Structure |
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| Formula |
C21H27N
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| Molecular Weight |
293.454
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| Canonical SMILES |
C(CCc1ccccc1)CNC1CCc2ccccc2CC1
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| InChI |
InChI=1S/C21H27N/c1-2-8-18(9-3-1)10-6-7-17-22-21-15-13-19-11-4-5-12-20(19)14-16-21/h1-5,8-9,11-12,21-22H,6-7,10,13-17H2
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| InChIKey |
MSCYBWIUMIJJDT-UHFFFAOYSA-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