General Information of the Compound
| Compound ID |
CP0429941
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| Compound Name |
(2S,5R)-5-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoyl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C23H21ClN2O4
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| Molecular Weight |
424.884
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C23H21ClN2O4/c1-13-21(14(2)30-25-13)15-7-9-16(10-8-15)22(27)26-19(11-12-20(26)23(28)29)17-5-3-4-6-18(17)24/h3-10,19-20H,11-12H2,1-2H3,(H,28,29)/t19-,20+/m1/s1
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| InChIKey |
XAUPJOHWXCIAKH-UXHICEINSA-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