General Information of the Compound
| Compound ID |
CP0504591
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| Compound Name |
N-[5-[[7-[(4-butylphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]thiophen-2-yl]acetamide
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| Structure |
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| Formula |
C27H33N3O3S2
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| Molecular Weight |
511.713
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccc(NC(C)=O)s3)CCc2c1
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| InChI |
InChI=1S/C27H33N3O3S2/c1-3-4-5-21-6-11-26(12-7-21)35(32,33)29-24-9-8-22-14-16-30(17-15-23(22)18-24)19-25-10-13-27(34-25)28-20(2)31/h6-13,18,29H,3-5,14-17,19H2,1-2H3,(H,28,31)
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| InChIKey |
UOAUSRFWBALLMN-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