General Information of the Compound
| Compound ID |
CP0412110
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| Compound Name |
methyl 5-[[2-(2-tert-butylphenoxy)pyridin-3-yl]carbamoylamino]thiophene-2-carboxylate
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| Structure |
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
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| InChI |
InChI=1S/C22H23N3O4S/c1-22(2,3)14-8-5-6-10-16(14)29-19-15(9-7-13-23-19)24-21(27)25-18-12-11-17(30-18)20(26)28-4/h5-13H,1-4H3,(H2,24,25,27)
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| InChIKey |
SPUYBLWIMQUOOW-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