General Information of the Compound
| Compound ID |
CP0499166
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| Compound Name |
1-(2-Chloro-5-trifluoromethyl benzenesulfonyl)-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C21H21ClF3N3O2S
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| Molecular Weight |
471.932
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| Canonical SMILES |
CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)CC1
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| InChI |
InChI=1S/C21H21ClF3N3O2S/c1-26-8-10-27(11-9-26)14-15-2-5-19-16(12-15)6-7-28(19)31(29,30)20-13-17(21(23,24)25)3-4-18(20)22/h2-7,12-13H,8-11,14H2,1H3
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| InChIKey |
YLPUXKCKKSTFMF-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