General Information of the Compound
| Compound ID |
CP0373306
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| Compound Name |
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
CC(C)(Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C20H25NO4/c1-20(2,19(23)24)25-17-10-8-15(9-11-17)12-13-21-14-18(22)16-6-4-3-5-7-16/h3-11,18,21-22H,12-14H2,1-2H3,(H,23,24)/t18-/m0/s1
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| InChIKey |
YVMCTMBAWCBDJV-SFHVURJKSA-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