General Information of the Compound
| Compound ID |
CP0527792
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| Compound Name |
2-[1-[(2S)-2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C28H30N4O5
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| Molecular Weight |
502.571
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| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)[C@H](O)CN1CCCC1CC(O)=O
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| InChI |
InChI=1S/C28H30N4O5/c1-2-7-22-25(30-36-26(22)19-8-4-3-5-9-19)28-29-27(31-37-28)20-13-11-18(12-14-20)23(33)17-32-15-6-10-21(32)16-24(34)35/h3-5,8-9,11-14,21,23,33H,2,6-7,10,15-17H2,1H3,(H,34,35)/t21?,23-/m1/s1
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| InChIKey |
NYZZVISKNPNJAD-JFGZAKSSSA-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