General Information of the Compound
| Compound ID |
CP0559491
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| Compound Name |
1-(9-methoxy-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)-2-pyridin-2-ylethanone
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
COc1ccc2[nH]c3CCCN(Cc3c2c1)C(=O)Cc1ccccn1
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| InChI |
InChI=1S/C20H21N3O2/c1-25-15-7-8-19-16(12-15)17-13-23(10-4-6-18(17)22-19)20(24)11-14-5-2-3-9-21-14/h2-3,5,7-9,12,22H,4,6,10-11,13H2,1H3
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| InChIKey |
DIKNCSGXNBOYRG-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