General Information of the Compound
| Compound ID |
CP0012012
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| Compound Name |
(3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocyclohepten-7-yl)-amine
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| Structure |
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| Formula |
C20H25N
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| Molecular Weight |
279.427
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| Canonical SMILES |
C(CNC1CCc2ccccc2CC1)Cc1ccccc1
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| InChI |
InChI=1S/C20H25N/c1-2-7-17(8-3-1)9-6-16-21-20-14-12-18-10-4-5-11-19(18)13-15-20/h1-5,7-8,10-11,20-21H,6,9,12-16H2
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| InChIKey |
XMCZQFIGXDUMNK-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