General Information of the Compound
| Compound ID |
CP0464378
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| Compound Name |
2-[3-[2-fluoro-5-(trifluoromethoxy)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetic acid
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| Structure |
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| Formula |
C18H22F4N2O3
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| Molecular Weight |
390.377
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| Canonical SMILES |
OC(=O)CN1CCC2(CC1)CCN(CC2)c1cc(OC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C18H22F4N2O3/c19-14-2-1-13(27-18(20,21)22)11-15(14)24-9-5-17(6-10-24)3-7-23(8-4-17)12-16(25)26/h1-2,11H,3-10,12H2,(H,25,26)
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| InChIKey |
SVNZOKFIBRTNSD-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