General Information of the Compound
| Compound ID |
CP0514876
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| Compound Name |
6-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1H-indole
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| Structure |
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| Formula |
C22H26ClN3O2S
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| Molecular Weight |
431.989
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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| InChIKey |
AJQQBSCDJFVVMQ-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