General Information of the Compound
| Compound ID |
CP0506008
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| Compound Name |
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-2-[2-[2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-2-oxoethoxy]ethoxy]-N-methylacetamide
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| Structure |
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| Formula |
C42H50N4O4
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| Molecular Weight |
674.886
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| Canonical SMILES |
CN(CCCN1c2ccccc2CCc2ccccc12)C(=O)COCCOCC(=O)N(C)CCCN1c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C42H50N4O4/c1-43(25-11-27-45-37-17-7-3-13-33(37)21-22-34-14-4-8-18-38(34)45)41(47)31-49-29-30-50-32-42(48)44(2)26-12-28-46-39-19-9-5-15-35(39)23-24-36-16-6-10-20-40(36)46/h3-10,13-20H,11-12,21-32H2,1-2H3
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| InChIKey |
JGXIYCSKBCTRFK-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