General Information of the Compound
| Compound ID |
CP0421311
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| Compound Name |
2-[(3R)-1-[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C29H32N4O5
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| Molecular Weight |
516.598
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| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCC[C@H](CC(O)=O)C1
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| InChI |
InChI=1S/C29H32N4O5/c1-2-7-23-26(31-37-27(23)21-9-4-3-5-10-21)29-30-28(32-38-29)22-13-11-20(12-14-22)24(34)18-33-15-6-8-19(17-33)16-25(35)36/h3-5,9-14,19,24,34H,2,6-8,15-18H2,1H3,(H,35,36)/t19-,24?/m1/s1
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| InChIKey |
YNXRXFSUFSBGFK-PHSANKKPSA-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