General Information of the Compound
| Compound ID |
CP0371571
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| Compound Name |
2-Butanol deriv. 16
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| Structure |
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| Formula |
C30H38N2O3
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| Molecular Weight |
474.645
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C30H38N2O3/c1-29(2,3)31-27(34)25-14-10-8-12-21(25)17-18-23(33)19-22-16-15-20-11-7-9-13-24(20)26(22)28(35)32-30(4,5)6/h7-16,23,33H,17-19H2,1-6H3,(H,31,34)(H,32,35)
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| InChIKey |
JQNYODUTAJVBKZ-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