General Information of the Compound
| Compound ID |
CP0942741
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| Compound Name |
(3S,4R)-3-hydroxy-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C17H24N2O3
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| Molecular Weight |
304.39
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| Canonical SMILES |
CC(C)[C@@H](CO)N[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O
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| InChI |
InChI=1S/C17H24N2O3/c1-10(2)13(9-20)19-15-12-7-11(8-18)5-6-14(12)22-17(3,4)16(15)21/h5-7,10,13,15-16,19-21H,9H2,1-4H3/t13-,15-,16+/m1/s1
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| InChIKey |
LUDUBZUOROCVBO-BMFZPTHFSA-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