General Information of the Compound
| Compound ID |
CP0385967
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| Compound Name |
N-[2-(7-bromonaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C26H32BrN3O3S
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| Molecular Weight |
546.531
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| Canonical SMILES |
COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCC(C)(C)c1cccc2ccc(Br)cc12
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| InChI |
InChI=1S/C26H32BrN3O3S/c1-26(2,23-7-5-6-19-8-9-20(27)16-22(19)23)18-28-34(31,32)21-10-11-25(33-4)24(17-21)30-14-12-29(3)13-15-30/h5-11,16-17,28H,12-15,18H2,1-4H3
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| InChIKey |
HHQSQESJYDHJPT-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