General Information of the Compound
| Compound ID |
CP0503953
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| Compound Name |
2-[3-[2-chloro-5-(trifluoromethoxy)phenyl]-11-methyl-3-azaspiro[5.5]undecan-9-yl]acetic acid
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| Structure |
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| Formula |
C20H25ClF3NO3
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| Molecular Weight |
419.871
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| Canonical SMILES |
CC1CC(CC(O)=O)CCC11CCN(CC1)c1cc(OC(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C20H25ClF3NO3/c1-13-10-14(11-18(26)27)4-5-19(13)6-8-25(9-7-19)17-12-15(2-3-16(17)21)28-20(22,23)24/h2-3,12-14H,4-11H2,1H3,(H,26,27)
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| InChIKey |
YXMYUZGNDIAWAU-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