General Information of the Compound
| Compound ID |
CP0442705
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| Compound Name |
3-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-(4-propan-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C38H40F3N5O5
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| Molecular Weight |
703.762
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C38H40F3N5O5/c1-25(2)43-18-20-44(21-19-43)35(48)33(34(47)42-23-27-12-9-15-29(22-27)38(39,40)41)45-30(17-16-26-10-5-3-6-11-26)32(36(45)49)46-31(24-51-37(46)50)28-13-7-4-8-14-28/h3-17,22,25,30-33H,18-21,23-24H2,1-2H3,(H,42,47)/b17-16+/t30-,31-,32+,33?/m1/s1
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| InChIKey |
PVZHHQZPPIGFAX-SNEJJKSASA-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