General Information of the Compound
| Compound ID |
CP0081395
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| Compound Name |
(2S,3S)-1-(4-tert-butylphenyl)-3-[[3-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-4-oxoazetidine-2-carboxylic acid
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| Structure |
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| Formula |
C33H33ClN2O5
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| Molecular Weight |
573.089
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C33H33ClN2O5/c1-20-28(35-30(41-20)22-8-12-24(34)13-9-22)16-17-40-26-7-5-6-21(18-26)19-27-29(32(38)39)36(31(27)37)25-14-10-23(11-15-25)33(2,3)4/h5-15,18,27,29H,16-17,19H2,1-4H3,(H,38,39)/t27-,29-/m0/s1
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| InChIKey |
JTGDXZKJMAMXST-YTMVLYRLSA-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