General Information of the Compound
| Compound ID |
CP0533233
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| Compound Name |
5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-N-methylaniline
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| Structure |
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| Formula |
C18H22FN3O2S
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| Molecular Weight |
363.458
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| Canonical SMILES |
CNc1cc(ccc1S(=O)(=O)c1cccc(F)c1)N1CCCNCC1
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| InChI |
InChI=1S/C18H22FN3O2S/c1-20-17-13-15(22-10-3-8-21-9-11-22)6-7-18(17)25(23,24)16-5-2-4-14(19)12-16/h2,4-7,12-13,20-21H,3,8-11H2,1H3
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| InChIKey |
QIWUTULEOBBBBU-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