General Information of the Compound
| Compound ID |
CP0031598
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| Compound Name |
1-[4-[(4-methylpyridin-2-yl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)phenyl]ethanone
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| Structure |
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| Formula |
C25H26N2O2
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| Molecular Weight |
386.495
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| Canonical SMILES |
CC(=O)c1ccc(OCc2cc(C)ccn2)c(c1)-c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C25H26N2O2/c1-17-7-12-27-23(13-17)16-29-25-6-5-20(18(2)28)15-24(25)22-4-3-19-8-10-26-11-9-21(19)14-22/h3-7,12-15,26H,8-11,16H2,1-2H3
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| InChIKey |
WKOPXQDBHIAXLC-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