General Information of the Compound
| Compound ID |
CP0517967
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| Compound Name |
1-[2-[[5-cyclopropyl-4-(4-fluorophenyl)-2-methoxyphenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H34FN3O4
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| Molecular Weight |
507.606
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| Canonical SMILES |
COc1cc(-c2ccc(F)cc2)c(cc1CN1CC2(C1)CC(=NO2)N1CCC(C)(CC1)C(O)=O)C1CC1
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| InChI |
InChI=1S/C29H34FN3O4/c1-28(27(34)35)9-11-33(12-10-28)26-15-29(37-31-26)17-32(18-29)16-21-13-23(19-3-4-19)24(14-25(21)36-2)20-5-7-22(30)8-6-20/h5-8,13-14,19H,3-4,9-12,15-18H2,1-2H3,(H,34,35)
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| InChIKey |
OWVRTUVJPKYUOW-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: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5