General Information of the Compound
| Compound ID |
CP0389420
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| Compound Name |
(E)-4-(9,10-dihydrophenanthren-2-yl)-4-keto-but-2-enoic acid
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| Structure |
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| Formula |
C18H14O3
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| Molecular Weight |
278.307
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| Canonical SMILES |
OC(=O)\C=C\C(=O)c1ccc-2c(CCc3ccccc-23)c1
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| InChI |
InChI=1S/C18H14O3/c19-17(9-10-18(20)21)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-11H,5-6H2,(H,20,21)/b10-9+
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| InChIKey |
DZRPKYLCYLWFLO-MDZDMXLPSA-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: PT06033, Microphthalmia-associated transcription factor