General Information of the Compound
| Compound ID |
CP0432417
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| Compound Name |
(3S)-3-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yloxy)phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C19H21NO4
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| Molecular Weight |
327.38
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(OC2CCc3ncccc23)cc1
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| InChI |
InChI=1S/C19H21NO4/c1-2-23-18(12-19(21)22)13-5-7-14(8-6-13)24-17-10-9-16-15(17)4-3-11-20-16/h3-8,11,17-18H,2,9-10,12H2,1H3,(H,21,22)/t17?,18-/m0/s1
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| InChIKey |
IVDDLPSTCYZUTO-ZVAWYAOSSA-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