General Information of the Compound
| Compound ID |
CP0422816
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| Compound Name |
(+/-)-4-cyanophenyl 6-cyano-3-hydroxy-2,2-dimethylchroman-4-ylcarbamate
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2C(NC(=O)c2ccc(cc2)C#N)C1O)C#N
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| InChI |
InChI=1S/C20H17N3O3/c1-20(2)18(24)17(15-9-13(11-22)5-8-16(15)26-20)23-19(25)14-6-3-12(10-21)4-7-14/h3-9,17-18,24H,1-2H3,(H,23,25)
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| InChIKey |
FZBBUIVMCCYQOP-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