General Information of the Compound
| Compound ID |
CP0894752
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| Compound Name |
3-Iodo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
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| Structure |
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| Formula |
C18H22IN3O3S
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| Molecular Weight |
487.363
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2cccc(I)c2)cc1N1CCN(C)CC1
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| InChI |
InChI=1S/C18H22IN3O3S/c1-21-8-10-22(11-9-21)17-13-15(6-7-18(17)25-2)20-26(23,24)16-5-3-4-14(19)12-16/h3-7,12-13,20H,8-11H2,1-2H3
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| InChIKey |
SCIAZBXOVPXAAS-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