General Information of the Compound
| Compound ID |
CP0452551
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| Compound Name |
3-[2-[3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propoxy]prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C39H43N3O
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| Molecular Weight |
569.793
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| Canonical SMILES |
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOCCCN1c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C39H43N3O/c1-40(2)25-10-26-42-38-18-8-5-15-34(38)23-24-35-20-19-31(30-39(35)42)12-9-28-43-29-11-27-41-36-16-6-3-13-32(36)21-22-33-14-4-7-17-37(33)41/h3-8,13-20,30H,10-11,21-29H2,1-2H3
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| InChIKey |
CGQPKKXTYWMHQP-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