General Information of the Compound
| Compound ID |
CP0390054
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| Compound Name |
N-[3-[[7-[(4-butylphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C29H35N3O3S
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| Molecular Weight |
505.684
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3cccc(NC(C)=O)c3)CCc2c1
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| InChI |
InChI=1S/C29H35N3O3S/c1-3-4-6-23-9-13-29(14-10-23)36(34,35)31-28-12-11-25-15-17-32(18-16-26(25)20-28)21-24-7-5-8-27(19-24)30-22(2)33/h5,7-14,19-20,31H,3-4,6,15-18,21H2,1-2H3,(H,30,33)
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| InChIKey |
JWVAOOHPEPQNQV-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