General Information of the Compound
| Compound ID |
CP0365008
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| Compound Name |
1-[2-[[3-chloro-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 |
C29H33ClFN3O4
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| Molecular Weight |
542.051
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| Canonical SMILES |
COc1c(CN2CC3(C2)CC(=NO3)N2CCC(C)(CC2)C(O)=O)cc(C2CC2)c(c1Cl)-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H33ClFN3O4/c1-28(27(35)36)9-11-34(12-10-28)23-14-29(38-32-23)16-33(17-29)15-20-13-22(18-3-4-18)24(25(30)26(20)37-2)19-5-7-21(31)8-6-19/h5-8,13,18H,3-4,9-12,14-17H2,1-2H3,(H,35,36)
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| InChIKey |
DJCPYTGQXWYAQU-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