General Information of the Compound
| Compound ID |
CP0403434
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| Compound Name |
(3S)-3-[4-[[3-(2-cyanophenyl)phenyl]methoxy]phenyl]-3-(1-methylimidazol-2-yl)propanoic acid
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| Structure |
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| Formula |
C27H23N3O3
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| Molecular Weight |
437.499
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| Canonical SMILES |
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2C#N)cc1
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| InChI |
InChI=1S/C27H23N3O3/c1-30-14-13-29-27(30)25(16-26(31)32)20-9-11-23(12-10-20)33-18-19-5-4-7-21(15-19)24-8-3-2-6-22(24)17-28/h2-15,25H,16,18H2,1H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
LEQLWOFKCSQPBA-VWLOTQADSA-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