General Information of the Compound
| Compound ID |
CP0391700
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| Compound Name |
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-[2-[2-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethoxy]ethoxy]ethyl]-N-methylpropan-1-amine
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| Structure |
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| Formula |
C42H54N4O2
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| Molecular Weight |
646.92
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| Canonical SMILES |
CN(CCCN1c2ccccc2CCc2ccccc12)CCOCCOCCN(C)CCCN1c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C42H54N4O2/c1-43(25-11-27-45-39-17-7-3-13-35(39)21-22-36-14-4-8-18-40(36)45)29-31-47-33-34-48-32-30-44(2)26-12-28-46-41-19-9-5-15-37(41)23-24-38-16-6-10-20-42(38)46/h3-10,13-20H,11-12,21-34H2,1-2H3
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| InChIKey |
KMLBRIUEBQEFIQ-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