General Information of the Compound
| Compound ID |
CP0457507
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| Compound Name |
4-[8-[[4-(2,4-dichlorophenyl)-3-(trifluoromethoxy)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C29H25Cl2F3N2O4
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| Molecular Weight |
593.429
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1CC2(CC1=O)CCN(Cc1ccc(c(OC(F)(F)F)c1)-c1ccc(Cl)cc1Cl)CC2
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| InChI |
InChI=1S/C29H25Cl2F3N2O4/c30-20-4-8-22(24(31)14-20)23-7-1-18(13-25(23)40-29(32,33)34)16-35-11-9-28(10-12-35)15-26(37)36(17-28)21-5-2-19(3-6-21)27(38)39/h1-8,13-14H,9-12,15-17H2,(H,38,39)
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| InChIKey |
FLMCLJOBLULVFI-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