General Information of the Compound
| Compound ID |
CP0512581
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| Compound Name |
butyl N-[5-(2-methylpropyl)-3-[3-[2-(2-propan-2-ylimidazol-1-yl)acetyl]phenyl]thiophen-2-yl]sulfonylcarbamate
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| Formula |
C27H35N3O5S2
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| Molecular Weight |
545.727
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)C
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| InChI |
InChI=1S/C27H35N3O5S2/c1-6-7-13-35-27(32)29-37(33,34)26-23(16-22(36-26)14-18(2)3)20-9-8-10-21(15-20)24(31)17-30-12-11-28-25(30)19(4)5/h8-12,15-16,18-19H,6-7,13-14,17H2,1-5H3,(H,29,32)
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| InChIKey |
ATVNVSKNSMQOOJ-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