General Information of the Compound
| Compound ID |
CP0948409
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| Compound Name |
1-Benzenesulfonyl-(4-piperazin-1-ylmethyl)-1H-indole dihydrochloride
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| Structure |
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| Formula |
C19H23Cl2N3O2S
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| Molecular Weight |
428.385
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| Canonical SMILES |
Cl.Cl.O=S(=O)(c1ccccc1)n1ccc2c(CN3CCNCC3)cccc21
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| InChI |
InChI=1S/C19H21N3O2S.2ClH/c23-25(24,17-6-2-1-3-7-17)22-12-9-18-16(5-4-8-19(18)22)15-21-13-10-20-11-14-21;;/h1-9,12,20H,10-11,13-15H2;2*1H
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| InChIKey |
HSGHYLUOCCBBRG-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