General Information of the Compound
| Compound ID |
CP0538245
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| Compound Name |
2-Butanol deriv. 4
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| Structure |
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| Formula |
C25H34N2O3S
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| Molecular Weight |
442.625
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H34N2O3S/c1-24(2,3)26-22(29)19-12-8-7-11-17(19)15-18(28)16-31-21-14-10-9-13-20(21)23(30)27-25(4,5)6/h7-14,18,28H,15-16H2,1-6H3,(H,26,29)(H,27,30)
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| InChIKey |
XXMWJVHFFWXJGR-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