General Information of the Compound
| Compound ID |
CP0552961
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| Compound Name |
(3S)-1-[(2S)-2-hydroxy-2-[4-[5-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H27F3N4O5
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| Molecular Weight |
508.497
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| Canonical SMILES |
CC(C)Cc1onc(-c2nc(no2)-c2ccc(cc2)[C@H](O)CN2CCC[C@@H](C2)C(O)=O)c1C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N4O5/c1-13(2)10-18-19(24(25,26)27)20(29-35-18)22-28-21(30-36-22)15-7-5-14(6-8-15)17(32)12-31-9-3-4-16(11-31)23(33)34/h5-8,13,16-17,32H,3-4,9-12H2,1-2H3,(H,33,34)/t16-,17+/m0/s1
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| InChIKey |
LTIXIGNBOHGXDX-DLBZAZTESA-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