General Information of the Compound
| Compound ID |
CP0407794
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| Compound Name |
US8742110, 3-1
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| Structure |
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| Formula |
C31H33FN2O6
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| Molecular Weight |
548.611
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| Canonical SMILES |
CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H33FN2O6/c1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36)
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| InChIKey |
KKHVNUWBIYHFEO-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
Protein ID: PT06443, Somatostatin receptor type 5
Protein ID: PT01196, Somatostatin receptor type 5