General Information of the Compound
| Compound ID |
CP0422083
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| Compound Name |
4-[8-[[4-chloro-2-cyclopropyl-5-(trifluoromethyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
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| Structure |
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| Formula |
C25H24ClF3N2O4
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| Molecular Weight |
508.924
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O
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| InChI |
InChI=1S/C25H24ClF3N2O4/c26-21-12-19(15-1-2-15)17(11-20(21)25(27,28)29)13-30-9-7-24(8-10-30)14-31(23(34)35-24)18-5-3-16(4-6-18)22(32)33/h3-6,11-12,15H,1-2,7-10,13-14H2,(H,32,33)
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| InChIKey |
BZFUCKCMPOQIKK-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