General Information of the Compound
| Compound ID |
CP0550702
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| Compound Name |
2-[(3R)-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]piperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C26H24F3N5O5
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| Molecular Weight |
543.502
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| Canonical SMILES |
O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccn1
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| InChI |
InChI=1S/C26H24F3N5O5/c27-26(28,29)21-22(18-5-1-2-10-30-18)32-38-23(21)25-31-24(33-39-25)17-8-6-16(7-9-17)19(35)14-34-11-3-4-15(13-34)12-20(36)37/h1-2,5-10,15,19,35H,3-4,11-14H2,(H,36,37)/t15-,19-/m1/s1
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| InChIKey |
YHBSXEKWVZPAAS-DNVCBOLYSA-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