General Information of the Compound
| Compound ID |
CP0525737
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| Compound Name |
3-(4-cyclohexylpiperazin-1-yl)-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]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C41H44F3N5O5
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| Molecular Weight |
743.827
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCN(CC2)C2CCCCC2)c1
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| InChI |
InChI=1S/C41H44F3N5O5/c42-41(43,44)31-16-10-13-29(25-31)26-45-37(50)36(38(51)47-23-21-46(22-24-47)32-17-8-3-9-18-32)48-33(20-19-28-11-4-1-5-12-28)35(39(48)52)49-34(27-54-40(49)53)30-14-6-2-7-15-30/h1-2,4-7,10-16,19-20,25,32-36H,3,8-9,17-18,21-24,26-27H2,(H,45,50)/b20-19+/t33-,34-,35+,36?/m1/s1
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| InChIKey |
JHDFCRWAMRCRCA-AFNWIVJPSA-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