General Information of the Compound
| Compound ID |
CP0517964
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| Compound Name |
3-[(4-ethylpiperazin-1-yl)methyl]-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
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| Structure |
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| Formula |
C25H33N3O3S
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| Molecular Weight |
455.624
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| Canonical SMILES |
CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
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| InChI |
InChI=1S/C25H33N3O3S/c1-5-26-12-14-27(15-13-26)17-21-18-28(25-11-8-22(31-4)16-24(21)25)32(29,30)23-9-6-20(7-10-23)19(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3
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| InChIKey |
FSMAITWACRAVIM-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