General Information of the Compound
| Compound ID |
CP0442319
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| Compound Name |
2-[9-[2-chloro-5-(trifluoromethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid
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| Structure |
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| Formula |
C18H21ClF3NO4
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| Molecular Weight |
407.816
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| Canonical SMILES |
OC(=O)CC1CCC2(CCN(CC2)c2cc(OC(F)(F)F)ccc2Cl)OC1
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| InChI |
InChI=1S/C18H21ClF3NO4/c19-14-2-1-13(27-18(20,21)22)10-15(14)23-7-5-17(6-8-23)4-3-12(11-26-17)9-16(24)25/h1-2,10,12H,3-9,11H2,(H,24,25)
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| InChIKey |
DIZADOFRCFKNSD-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