General Information of the Compound
| Compound ID |
CP0064090
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| Compound Name |
(2S,3S)-1-(4-tert-butylphenyl)-3-[[3-[2-[2-(3-methoxyphenyl)-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 |
C34H36N2O6
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| Molecular Weight |
568.67
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| Canonical SMILES |
COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
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| InChI |
InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-7-10-26(20-23)40-5)16-17-41-27-11-6-8-22(18-27)19-28-30(33(38)39)36(32(28)37)25-14-12-24(13-15-25)34(2,3)4/h6-15,18,20,28,30H,16-17,19H2,1-5H3,(H,38,39)/t28-,30-/m0/s1
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| InChIKey |
LPCDOMMRICKOBC-JDXGNMNLSA-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