General Information of the Compound
| Compound ID |
CP0910376
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| Compound Name |
(3R,4S)-4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C19H20N2O2
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| Molecular Weight |
308.381
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| Canonical SMILES |
CC1(C)Oc2ccc(C#N)cc2[C@H](NCc2ccccc2)[C@H]1O
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| InChI |
InChI=1S/C19H20N2O2/c1-19(2)18(22)17(21-12-13-6-4-3-5-7-13)15-10-14(11-20)8-9-16(15)23-19/h3-10,17-18,21-22H,12H2,1-2H3/t17-,18+/m0/s1
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| InChIKey |
SCWHDFQWIPKECK-ZWKOTPCHSA-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