General Information of the Compound
| Compound ID |
CP0074038
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| Compound Name |
(S)-2-(3-Benzoyl-phenyl)-propionic acid
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| Structure |
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| Formula |
C16H14O3
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| Molecular Weight |
254.285
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| Canonical SMILES |
C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
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| InChIKey |
DKYWVDODHFEZIM-NSHDSACASA-N
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| CAS |
22161-81-5
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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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00901, Prostaglandin G/H synthase 2