General Information of the Compound
| Compound ID |
CP0407812
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| Compound Name |
4-[8-[[4-chloro-2-cyclopropyl-5-(trifluoromethyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C26H26ClF3N2O3
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| Molecular Weight |
506.952
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1CC2(CC1=O)CCN(Cc1cc(c(Cl)cc1C1CC1)C(F)(F)F)CC2
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| InChI |
InChI=1S/C26H26ClF3N2O3/c27-22-12-20(16-1-2-16)18(11-21(22)26(28,29)30)14-31-9-7-25(8-10-31)13-23(33)32(15-25)19-5-3-17(4-6-19)24(34)35/h3-6,11-12,16H,1-2,7-10,13-15H2,(H,34,35)
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| InChIKey |
ZWSMKWCCXXBHEW-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