General Information of the Compound
| Compound ID |
CP0550712
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| Compound Name |
4-[2-hydroxy-2-[4-[5-(5-phenyl-4-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]piperazine-2-carboxylic acid
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| Structure |
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| Formula |
C27H29N5O5
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| Molecular Weight |
503.559
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| Canonical SMILES |
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN1CCNC(C1)C(O)=O
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| InChI |
InChI=1S/C27H29N5O5/c1-2-6-20-23(30-36-24(20)18-7-4-3-5-8-18)26-29-25(31-37-26)19-11-9-17(10-12-19)22(33)16-32-14-13-28-21(15-32)27(34)35/h3-5,7-12,21-22,28,33H,2,6,13-16H2,1H3,(H,34,35)
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| InChIKey |
WPAXHVDZIROVIQ-UHFFFAOYSA-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