General Information of the Compound
| Compound ID |
CP0562036
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| Compound Name |
1-(9-methoxy-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)-2-phenylethanone
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
COc1ccc2[nH]c3CCCN(Cc3c2c1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C21H22N2O2/c1-25-16-9-10-20-17(13-16)18-14-23(11-5-8-19(18)22-20)21(24)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,22H,5,8,11-12,14H2,1H3
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| InChIKey |
ADUWTXCRUYQJHP-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