General Information of the Compound
| Compound ID |
CP0453661
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| Compound Name |
(3S,4R)-4-(5-chloro-3-oxobenzo[d]isoxazol-2(3H)-yl)-3-hydroxy-2,2-dimethylchroman-6-carbonitrile
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| Structure |
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| Formula |
C19H15ClN2O4
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| Molecular Weight |
370.792
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)n1oc2ccc(Cl)cc2c1=O)C#N
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| InChI |
InChI=1S/C19H15ClN2O4/c1-19(2)17(23)16(12-7-10(9-21)3-5-14(12)25-19)22-18(24)13-8-11(20)4-6-15(13)26-22/h3-8,16-17,23H,1-2H3/t16-,17+/m1/s1
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| InChIKey |
YDJWTBLKEBGBOJ-SJORKVTESA-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