General Information of the Compound
| Compound ID |
CP0486685
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| Compound Name |
3-(3-chlorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
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| Structure |
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| Formula |
C19H20ClN3O2S
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| Molecular Weight |
389.908
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| Canonical SMILES |
Cn1cc(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H20ClN3O2S/c1-22-13-18(26(24,25)15-5-2-4-14(20)12-15)16-6-3-7-17(19(16)22)23-10-8-21-9-11-23/h2-7,12-13,21H,8-11H2,1H3
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| InChIKey |
YEGMEBCQMGPVOU-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