General Information of the Compound
| Compound ID |
CP0477212
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| Compound Name |
5-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-ethylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C23H28ClN3O2S
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| Molecular Weight |
446.016
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| Canonical SMILES |
CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C23H28ClN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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| InChIKey |
LUSMKIZMIYMAQK-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