General Information of the Compound
| Compound ID |
CP0930931
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| Compound Name |
[2-(4-Benzenesulfonyl-piperazin-1-yl)-1-(4-fluorophenyl)ethyl]pyridin-2-ylmethylamine
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| Structure |
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| Formula |
C24H27FN4O2S
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| Molecular Weight |
454.571
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| Canonical SMILES |
O=S(=O)(c1ccccc1)N1CCN(CC(NCc2ccccn2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H27FN4O2S/c25-21-11-9-20(10-12-21)24(27-18-22-6-4-5-13-26-22)19-28-14-16-29(17-15-28)32(30,31)23-7-2-1-3-8-23/h1-13,24,27H,14-19H2
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| InChIKey |
BAJCLZTXGLOFCD-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