General Information of the Compound
| Compound ID |
CP0571503
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| Compound Name |
(2S)-N-[(1R)-1-[2-fluoro-4-[(2S)-2-methylbutoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C22H28FNO3
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| Molecular Weight |
373.468
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| Canonical SMILES |
CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C22H28FNO3/c1-4-15(2)14-27-18-10-11-19(20(23)12-18)21(13-25)24-22(26)16(3)17-8-6-5-7-9-17/h5-12,15-16,21,25H,4,13-14H2,1-3H3,(H,24,26)/t15-,16-,21-/m0/s1
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| InChIKey |
BOUSYVRMDABSNL-QYWGDWMGSA-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