General Information of the Compound
| Compound ID |
CP0489402
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| Compound Name |
4-[(4S)-fluoro-1-[2-(2-methylphenylamino)-6-benzoxazolylacetyl]-(2S)-pyrrolidinylmethoxy]butanoic acid
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| Structure |
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| Formula |
C25H28FN3O5
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| Molecular Weight |
469.513
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| Canonical SMILES |
Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COCCCC(O)=O)cc2o1
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| InChI |
InChI=1S/C25H28FN3O5/c1-16-5-2-3-6-20(16)27-25-28-21-9-8-17(11-22(21)34-25)12-23(30)29-14-18(26)13-19(29)15-33-10-4-7-24(31)32/h2-3,5-6,8-9,11,18-19H,4,7,10,12-15H2,1H3,(H,27,28)(H,31,32)/t18-,19-/m0/s1
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| InChIKey |
YAUSGTWYQGTRDL-OALUTQOASA-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