General Information of the Compound
| Compound ID |
CP0314303
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| Compound Name |
(2S)-1-[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C23H21NO5
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| Molecular Weight |
391.423
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(cc2)-c2ccccc2)o1
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| InChI |
InChI=1S/C23H21NO5/c25-22(24-14-4-7-20(24)23(26)27)21-13-12-19(29-21)15-28-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,20H,4,7,14-15H2,(H,26,27)/t20-/m0/s1
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| InChIKey |
VTRDTDHQGGTYQU-FQEVSTJZSA-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