General Information of the Compound
| Compound ID |
CP0509770
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H29N3O3S
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| Molecular Weight |
403.548
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C21H29N3O3S/c1-18-8-10-19(11-9-18)28(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)27-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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| InChIKey |
JIZCSAVNRLQTOU-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