General Information of the Compound
| Compound ID |
CP0550701
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| Compound Name |
(3S)-1-[(2S)-2-hydroxy-2-[4-[5-[3-pyridin-2-yl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H22F3N5O5
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| Molecular Weight |
529.475
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| Canonical SMILES |
O[C@H](CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccn1
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| InChI |
InChI=1S/C25H22F3N5O5/c26-25(27,28)19-20(17-5-1-2-10-29-17)31-37-21(19)23-30-22(32-38-23)15-8-6-14(7-9-15)18(34)13-33-11-3-4-16(12-33)24(35)36/h1-2,5-10,16,18,34H,3-4,11-13H2,(H,35,36)/t16-,18+/m0/s1
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| InChIKey |
SNDOUFIGQKTFES-FUHWJXTLSA-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