General Information of the Compound
| Compound ID |
CP0931882
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| Compound Name |
(3R,4S)-3-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)-methylamino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C18H26N2O3
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| Molecular Weight |
318.417
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| Canonical SMILES |
CC(C)C(CO)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O
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| InChI |
InChI=1S/C18H26N2O3/c1-11(2)14(10-21)20(5)16-13-8-12(9-19)6-7-15(13)23-18(3,4)17(16)22/h6-8,11,14,16-17,21-22H,10H2,1-5H3/t14?,16-,17+/m0/s1
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| InChIKey |
JHAWJYVGMIDAAA-MWSTZMHHSA-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