General Information of the Compound
| Compound ID |
CP0440271
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| Compound Name |
1-[7-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
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| Structure |
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| Formula |
C26H33ClN2O2
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| Molecular Weight |
441.015
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| Canonical SMILES |
CC(=O)N1CCc2ccc(OCCCN3CCC(CC3)c3ccc(Cl)cc3)cc2CC1
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| InChI |
InChI=1S/C26H33ClN2O2/c1-20(30)29-16-11-22-5-8-26(19-24(22)12-17-29)31-18-2-13-28-14-9-23(10-15-28)21-3-6-25(27)7-4-21/h3-8,19,23H,2,9-18H2,1H3
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| InChIKey |
KTYTYSRNCBIVNY-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