General Information of the Compound
| Compound ID |
CP0170455
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| Compound Name |
3-Chloro-1-(2,4-difluoro benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C19H18ClF2N3O2S
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| Molecular Weight |
425.888
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
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| InChI |
InChI=1S/C19H18ClF2N3O2S/c20-16-12-25(28(26,27)19-4-2-14(21)10-17(19)22)18-3-1-13(9-15(16)18)11-24-7-5-23-6-8-24/h1-4,9-10,12,23H,5-8,11H2
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| InChIKey |
YUKIKOBMXGRCTM-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