General Information of the Compound
| Compound ID |
CP0413382
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| Compound Name |
3-[[[(1R)-1-(5-methylfuran-2-yl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C26H24N2O4
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| Molecular Weight |
428.488
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| Canonical SMILES |
CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(C)o1
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| InChI |
InChI=1S/C26H24N2O4/c1-3-23(24-12-11-17(2)32-24)28(16-18-7-6-9-20(13-18)26(30)31)25(29)21-14-19-8-4-5-10-22(19)27-15-21/h4-15,23H,3,16H2,1-2H3,(H,30,31)/t23-/m1/s1
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| InChIKey |
CZIRJKMEALPCDO-HSZRJFAPSA-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