General Information of the Compound
| Compound ID |
CP0523756
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(4-benzylpiperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
CC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H35N3O2/c1-22(31)30-14-11-24-9-10-26(20-25(24)12-15-30)27(32)8-5-13-28-16-18-29(19-17-28)21-23-6-3-2-4-7-23/h2-4,6-7,9-10,20H,5,8,11-19,21H2,1H3
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| InChIKey |
VQTCAOXIAPFHHQ-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