General Information of the Compound
| Compound ID |
CP0495849
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-pyrrolidin-1-ylbutan-1-one
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| Structure |
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| Formula |
C20H28N2O2
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| Molecular Weight |
328.456
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| Canonical SMILES |
CC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCCC1
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| InChI |
InChI=1S/C20H28N2O2/c1-16(23)22-13-8-17-6-7-19(15-18(17)9-14-22)20(24)5-4-12-21-10-2-3-11-21/h6-7,15H,2-5,8-14H2,1H3
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| InChIKey |
LZIVYOUUKLWWDI-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