General Information of the Compound
| Compound ID |
CP0500053
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| Compound Name |
3-chloro-1-(4-methylphenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
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| Structure |
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| Formula |
C21H24ClN3O2S
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| Molecular Weight |
417.962
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| Canonical SMILES |
CN1CCN(Cc2cccc3n(cc(Cl)c23)S(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C21H24ClN3O2S/c1-16-6-8-18(9-7-16)28(26,27)25-15-19(22)21-17(4-3-5-20(21)25)14-24-12-10-23(2)11-13-24/h3-9,15H,10-14H2,1-2H3
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| InChIKey |
KYALHNGBJNCCGJ-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