General Information of the Compound
| Compound ID |
CP0547560
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| Compound Name |
4-methoxy-N-(2-methyl-2-naphthalen-1-ylpropyl)-3-piperazin-1-ylbenzenesulfonamide
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| Structure |
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| Formula |
C25H31N3O3S
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| Molecular Weight |
453.608
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| Canonical SMILES |
COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCC(C)(C)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H31N3O3S/c1-25(2,22-10-6-8-19-7-4-5-9-21(19)22)18-27-32(29,30)20-11-12-24(31-3)23(17-20)28-15-13-26-14-16-28/h4-12,17,26-27H,13-16,18H2,1-3H3
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| InChIKey |
LEIQNIXFPZRVQZ-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