General Information of the Compound
| Compound ID |
CP0376828
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| Compound Name |
N,N-dimethyl-3-[2-[3-(3-naphthalen-1-yloxypropoxy)prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
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| Structure |
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| Formula |
C35H38N2O2
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| Molecular Weight |
518.701
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCOc1cccc2ccccc12
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| InChI |
InChI=1S/C35H38N2O2/c1-36(2)22-9-23-37-33-16-6-4-13-30(33)20-21-31-19-18-28(27-34(31)37)11-8-24-38-25-10-26-39-35-17-7-14-29-12-3-5-15-32(29)35/h3-7,12-19,27H,9-10,20-26H2,1-2H3
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| InChIKey |
WSWUZLYXIOLXMW-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