General Information of the Compound
| Compound ID |
CP0652571
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| Compound Name |
2-Bromobenzenesulfonyl-4-(piperazin-1-ylmethyl)-1H-indole dihydrochloride
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| Structure |
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| Formula |
C19H22BrCl2N3O2S
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| Molecular Weight |
507.281
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| Canonical SMILES |
Cl.Cl.O=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21
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| InChI |
InChI=1S/C19H20BrN3O2S.2ClH/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22;;/h1-8,11,21H,9-10,12-14H2;2*1H
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| InChIKey |
MTATYSOUXXNXHF-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