General Information of the Compound
| Compound ID |
CP0185708
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| Compound Name |
1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C24H31N3O2S
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| Molecular Weight |
425.598
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| Canonical SMILES |
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
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| InChI |
InChI=1S/C24H31N3O2S/c1-4-25-13-15-26(16-14-25)18-20-5-10-24-22(17-20)11-12-27(24)30(28,29)23-8-6-21(7-9-23)19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3
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| InChIKey |
IMMOUXZOUPDXQI-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