General Information of the Compound
| Compound ID |
CP0451694
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| Compound Name |
2-(4-tert-butylphenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
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| Structure |
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| Formula |
C26H33N3O4S
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| Molecular Weight |
483.634
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| Canonical SMILES |
COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(cc3)C(C)(C)C)nc12
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| InChI |
InChI=1S/C26H33N3O4S/c1-25(2,3)17-7-9-18(10-8-17)33-26(4,5)23(30)28-24-27-21-20(31-6)12-11-19(22(21)34-24)29-13-15-32-16-14-29/h7-12H,13-16H2,1-6H3,(H,27,28,30)
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| InChIKey |
FBQWVNMHUBKEIP-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