General Information of the Compound
| Compound ID |
CP0503200
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| Compound Name |
3-[3-[[[4-(4-fluorophenoxy)benzoyl]amino]methyl]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H25FN2O4
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| Molecular Weight |
448.494
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| Canonical SMILES |
OC(=O)c1cccc(c1)N1CCCC(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1
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| InChI |
InChI=1S/C26H25FN2O4/c27-21-8-12-24(13-9-21)33-23-10-6-19(7-11-23)25(30)28-16-18-3-2-14-29(17-18)22-5-1-4-20(15-22)26(31)32/h1,4-13,15,18H,2-3,14,16-17H2,(H,28,30)(H,31,32)
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| InChIKey |
TXLZXEQBTCTHSW-UHFFFAOYSA-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