General Information of the Compound
| Compound ID |
CP0457480
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| Compound Name |
benzyl 5-[[2-(2-tert-butylphenoxy)pyridin-3-yl]carbamoylamino]thiophene-2-carboxylate
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| Structure |
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| Formula |
C28H27N3O4S
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| Molecular Weight |
501.608
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(s1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H27N3O4S/c1-28(2,3)20-12-7-8-14-22(20)35-25-21(13-9-17-29-25)30-27(33)31-24-16-15-23(36-24)26(32)34-18-19-10-5-4-6-11-19/h4-17H,18H2,1-3H3,(H2,30,31,33)
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| InChIKey |
DLEUOKQREKDPRB-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