General Information of the Compound
| Compound ID |
CP0523523
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| Compound Name |
1-(4-methylphenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C21H25N3O2S
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| Molecular Weight |
383.517
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| Canonical SMILES |
CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C21H25N3O2S/c1-17-6-8-19(9-7-17)27(25,26)24-11-10-20-18(4-3-5-21(20)24)16-23-14-12-22(2)13-15-23/h3-11H,12-16H2,1-2H3
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| InChIKey |
MIJGAIKJGYXJSB-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