General Information of the Compound
| Compound ID |
CP0397408
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| Compound Name |
N-[2-(azepan-1-yl)phenyl]-2-phenylbutanamide
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| Structure |
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| Formula |
C22H28N2O
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| Molecular Weight |
336.479
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| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCCCC1)c1ccccc1
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| InChI |
InChI=1S/C22H28N2O/c1-2-19(18-12-6-5-7-13-18)22(25)23-20-14-8-9-15-21(20)24-16-10-3-4-11-17-24/h5-9,12-15,19H,2-4,10-11,16-17H2,1H3,(H,23,25)
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| InChIKey |
UOJYNTLRZFVCLW-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