General Information of the Compound
| Compound ID |
CP0097859
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| Compound Name |
1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane
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| Structure |
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| Formula |
C15H17IN2O2S
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| Molecular Weight |
416.284
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| Canonical SMILES |
Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
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| InChI |
InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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| InChIKey |
GEHJIACZUFWBTK-UHFFFAOYSA-N
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| CAS |
110448-33-4
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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