General Information of the Compound
| Compound ID |
CP0568587
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| Compound Name |
2-[4-[3-[(3-cyclohexyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C33H37FN2O6
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| Molecular Weight |
576.665
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| Canonical SMILES |
CC(C)(C(O)=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C3)C3CCCCC3)cc(Oc3ccc(F)cc3)c2)cc1
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| InChI |
InChI=1S/C33H37FN2O6/c1-32(2,30(37)38)22-8-12-26(13-9-22)41-28-18-25(19-29(20-28)42-27-14-10-24(34)11-15-27)35-31(39)36-17-16-33(40,21-36)23-6-4-3-5-7-23/h8-15,18-20,23,40H,3-7,16-17,21H2,1-2H3,(H,35,39)(H,37,38)
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| InChIKey |
DBQXXSHEVMMOHU-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