General Information of the Compound
| Compound ID |
CP0462312
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| Compound Name |
(+/-)-3-chlorophenyl 6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl carbonate
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| Structure |
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| Formula |
C19H16ClNO4
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| Molecular Weight |
357.793
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2C(OC(=O)c2cccc(Cl)c2)C1O)C#N
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| InChI |
InChI=1S/C19H16ClNO4/c1-19(2)17(22)16(14-8-11(10-21)6-7-15(14)25-19)24-18(23)12-4-3-5-13(20)9-12/h3-9,16-17,22H,1-2H3
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| InChIKey |
FNXUQDCCJRKOFX-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