General Information of the Compound
| Compound ID |
CP0376825
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| Compound Name |
N,N-dimethyl-3-[2-[3-(naphthalen-1-ylmethylsulfanyloxy)prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
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| Structure |
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| Formula |
C33H34N2OS
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| Molecular Weight |
506.715
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOSCc1cccc2ccccc12
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| InChI |
InChI=1S/C33H34N2OS/c1-34(2)21-9-22-35-32-16-6-4-12-28(32)19-20-29-18-17-26(24-33(29)35)10-8-23-36-37-25-30-14-7-13-27-11-3-5-15-31(27)30/h3-7,11-18,24H,9,19-23,25H2,1-2H3
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| InChIKey |
RZUABGMPSLZUPK-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