General Information of the Compound
| Compound ID |
CP0489518
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| Compound Name |
4-[8-[[4-methyl-5-(trifluoromethyl)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C30H26F6N2O3
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| Molecular Weight |
576.537
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| Canonical SMILES |
Cc1cc(c(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc1C(F)(F)F)-c1ccc(F)c(F)c1F
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| InChI |
InChI=1S/C30H26F6N2O3/c1-17-12-22(21-6-7-24(31)27(33)26(21)32)19(13-23(17)30(34,35)36)15-37-10-8-29(9-11-37)14-25(39)38(16-29)20-4-2-18(3-5-20)28(40)41/h2-7,12-13H,8-11,14-16H2,1H3,(H,40,41)
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| InChIKey |
HSXIPZDTFGIFKD-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