General Information of the Compound
| Compound ID |
CP0441383
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| Compound Name |
1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc12
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| InChI |
InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
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| InChIKey |
XZIRCFVAGCAFDA-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