General Information of the Compound
| Compound ID |
CP0483118
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| Compound Name |
[4-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]phenyl]methanol
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| Structure |
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| Formula |
C29H31FN2O4
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| Molecular Weight |
490.575
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| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)c2ccc(CO)cc2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H31FN2O4/c1-3-34-26-13-21(14-27(35-4-2)28(26)23-9-11-24(30)12-10-23)16-32-18-29(19-32)15-25(31-36-29)22-7-5-20(17-33)6-8-22/h5-14,33H,3-4,15-19H2,1-2H3
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| InChIKey |
UUTYXPOLCRZQSZ-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