General Information of the Compound
| Compound ID |
CP0468351
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| Compound Name |
9-[2-chloro-5-(trifluoromethoxy)phenyl]-9-azadispiro[2.2.56.23]tridecane-2-carboxylic acid
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| Structure |
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| Formula |
C20H23ClF3NO3
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| Molecular Weight |
417.855
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| Canonical SMILES |
OC(=O)C1CC11CCC2(CCN(CC2)c2cc(OC(F)(F)F)ccc2Cl)CC1
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| InChI |
InChI=1S/C20H23ClF3NO3/c21-15-2-1-13(28-20(22,23)24)11-16(15)25-9-7-18(8-10-25)3-5-19(6-4-18)12-14(19)17(26)27/h1-2,11,14H,3-10,12H2,(H,26,27)
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| InChIKey |
URKADBGRJJNSAM-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