General Information of the Compound
| Compound ID |
CP0479990
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| Compound Name |
butyl N-[3-[3-[2-(2-ethylimidazol-1-yl)acetyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C26H33N3O5S2
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| Molecular Weight |
531.7
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| Canonical SMILES |
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1CC
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| InChI |
InChI=1S/C26H33N3O5S2/c1-5-7-13-34-26(31)28-36(32,33)25-22(16-21(35-25)14-18(3)4)19-9-8-10-20(15-19)23(30)17-29-12-11-27-24(29)6-2/h8-12,15-16,18H,5-7,13-14,17H2,1-4H3,(H,28,31)
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| InChIKey |
OTPYHEJTUKIBIA-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