General Information of the Compound
| Compound ID |
CP0401187
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| Compound Name |
N,N-dimethyl-3-[2-[3-[2-(2-naphthalen-1-ylsulfanylethoxy)ethoxy]prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
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| Structure |
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| Formula |
C36H40N2O2S
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| Molecular Weight |
564.795
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCOCCSc1cccc2ccccc12
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| InChI |
InChI=1S/C36H40N2O2S/c1-37(2)21-9-22-38-34-15-6-4-12-31(34)19-20-32-18-17-29(28-35(32)38)10-8-23-39-24-25-40-26-27-41-36-16-7-13-30-11-3-5-14-33(30)36/h3-7,11-18,28H,9,19-27H2,1-2H3
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| InChIKey |
UKNJXYAJFUVUPI-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