General Information of the Compound
| Compound ID |
CP0140178
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| Compound Name |
benzyl 4-[4-(prop-2-enoylamino)phenyl]sulfonyl-1,4-diazepane-1-carboxylate
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| Structure |
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| Formula |
C22H25N3O5S
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| Molecular Weight |
443.525
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| Canonical SMILES |
C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H25N3O5S/c1-2-21(26)23-19-9-11-20(12-10-19)31(28,29)25-14-6-13-24(15-16-25)22(27)30-17-18-7-4-3-5-8-18/h2-5,7-12H,1,6,13-17H2,(H,23,26)
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| InChIKey |
LRPVZBYNRPUWGT-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