General Information of the Compound
| Compound ID |
CP0407490
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| Compound Name |
3-(2-ethynyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C21H24N2
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| Molecular Weight |
304.437
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#C
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| InChI |
InChI=1S/C21H24N2/c1-4-17-10-11-19-13-12-18-8-5-6-9-20(18)23(21(19)16-17)15-7-14-22(2)3/h1,5-6,8-11,16H,7,12-15H2,2-3H3
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| InChIKey |
KNHUBFGDBBMSPX-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