General Information of the Compound
| Compound ID |
CP0548181
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| Compound Name |
butyl N-[3-[3-[2-(2-tert-butylimidazol-1-yl)acetyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Formula |
C28H37N3O5S2
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| Molecular Weight |
559.754
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
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| InChI |
InChI=1S/C28H37N3O5S2/c1-7-8-14-36-27(33)30-38(34,35)25-23(17-22(37-25)15-19(2)3)20-10-9-11-21(16-20)24(32)18-31-13-12-29-26(31)28(4,5)6/h9-13,16-17,19H,7-8,14-15,18H2,1-6H3,(H,30,33)
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| InChIKey |
SKILMTRXKCIESJ-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