General Information of the Compound
| Compound ID |
CP0427932
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(4-ethylpiperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C22H33N3O2
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| Molecular Weight |
371.525
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| Canonical SMILES |
CCN1CCN(CCCC(=O)c2ccc3CCN(CCc3c2)C(C)=O)CC1
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| InChI |
InChI=1S/C22H33N3O2/c1-3-23-13-15-24(16-14-23)10-4-5-22(27)21-7-6-19-8-11-25(18(2)26)12-9-20(19)17-21/h6-7,17H,3-5,8-16H2,1-2H3
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| InChIKey |
OCEWULPIZPQHQJ-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