General Information of the Compound
| Compound ID |
CP0522744
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| Compound Name |
6-[(4S)-Fluoro-1-[2-(2-methylphenyl)amino-6-benzoxazolylacetyl]-(2S)-pyrrolidinylmethoxy]hexanoic acid
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| Structure |
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| Formula |
C27H32FN3O5
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| Molecular Weight |
497.567
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| Canonical SMILES |
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COCCCCCC(O)=O)cc2o1
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| InChI |
InChI=1S/C27H32FN3O5/c1-18-7-4-5-8-22(18)29-27-30-23-11-10-19(13-24(23)36-27)14-25(32)31-16-20(28)15-21(31)17-35-12-6-2-3-9-26(33)34/h4-5,7-8,10-11,13,20-21H,2-3,6,9,12,14-17H2,1H3,(H,29,30)(H,33,34)/t20-,21-/m0/s1
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| InChIKey |
SWCNXPKXNIGCDX-SFTDATJTSA-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