General Information of the Compound
| Compound ID |
CP0506098
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| Compound Name |
2-Butanol deriv. 11
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| Structure |
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| Formula |
C25H41N3O3
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| Molecular Weight |
431.621
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCCCN1CC(O)CCc1ccccc1C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H41N3O3/c1-24(2,3)26-22(30)20-12-8-7-11-18(20)14-15-19(29)17-28-16-10-9-13-21(28)23(31)27-25(4,5)6/h7-8,11-12,19,21,29H,9-10,13-17H2,1-6H3,(H,26,30)(H,27,31)
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| InChIKey |
NLIMJYNLARWQCI-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