General Information of the Compound
| Compound ID |
CP0401186
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| Compound Name |
3-[11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]prop-2-yn-1-ol
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| Structure |
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCO
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| InChI |
InChI=1S/C22H26N2O/c1-23(2)14-6-15-24-21-9-4-3-8-19(21)12-13-20-11-10-18(7-5-16-25)17-22(20)24/h3-4,8-11,17,25H,6,12-16H2,1-2H3
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| InChIKey |
HOMVSCBTHMQLRY-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