General Information of the Compound
| Compound ID |
CP0578024
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| Compound Name |
1-(9-methoxy-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)ethanone
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| Structure |
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| Formula |
C15H18N2O2
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| Molecular Weight |
258.321
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| Canonical SMILES |
COc1ccc2[nH]c3CCCN(Cc3c2c1)C(C)=O
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| InChI |
InChI=1S/C15H18N2O2/c1-10(18)17-7-3-4-14-13(9-17)12-8-11(19-2)5-6-15(12)16-14/h5-6,8,16H,3-4,7,9H2,1-2H3
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| InChIKey |
RGAHWXMEJUQTLE-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