General Information of the Compound
| Compound ID |
CP0360673
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| Compound Name |
4-butyl-N-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H32N4O2S
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| Molecular Weight |
452.624
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3[nH]cnc3C)CCc2c1
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| InChI |
InChI=1S/C25H32N4O2S/c1-3-4-5-20-6-10-24(11-7-20)32(30,31)28-23-9-8-21-12-14-29(15-13-22(21)16-23)17-25-19(2)26-18-27-25/h6-11,16,18,28H,3-5,12-15,17H2,1-2H3,(H,26,27)
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| InChIKey |
APDFBNVDTYKUDI-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