General Information of the Compound
| Compound ID |
CP0460481
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| Compound Name |
(2R,3R)-2,3-bis(phenylmethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
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| Structure |
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| Formula |
C22H20O3
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| Molecular Weight |
332.399
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| Canonical SMILES |
O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)O2)C=C1
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| InChI |
InChI=1S/C22H20O3/c23-19-11-13-22(14-12-19)24-20(15-17-7-3-1-4-8-17)21(25-22)16-18-9-5-2-6-10-18/h1-14,20-21H,15-16H2/t20-,21-/m1/s1
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| InChIKey |
UQYRAZQBGUKVIA-NHCUHLMSSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3