General Information of the Compound
| Compound ID |
CP0434936
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| Compound Name |
(3S,4R)-3-hydroxy-2,2-dimethyl-4-[[methyl(phenyl)phosphoryl]amino]-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C19H21N2O3P
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| Molecular Weight |
356.362
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NP(C)(=O)c2ccccc2)[C@@H]1O)C#N
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| InChI |
InChI=1S/C19H21N2O3P/c1-19(2)18(22)17(15-11-13(12-20)9-10-16(15)24-19)21-25(3,23)14-7-5-4-6-8-14/h4-11,17-18,22H,1-3H3,(H,21,23)/t17-,18+,25?/m1/s1
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| InChIKey |
KUKOBIYRPWXHMP-GHTAMBSGSA-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