General Information of the Compound
| Compound ID |
CP0525731
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| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-5-(4-propylpiperazin-1-yl)pentanamide
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| Structure |
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| Formula |
C40H44F3N5O5
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| Molecular Weight |
731.816
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| Canonical SMILES |
CCCN1CCN(CC1)C(=O)CC[C@H](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/C40H44F3N5O5/c1-2-20-45-21-23-46(24-22-45)35(49)19-18-33(37(50)44-26-29-12-9-15-31(25-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(27-53-39(48)52)30-13-7-4-8-14-30/h3-17,25,32-34,36H,2,18-24,26-27H2,1H3,(H,44,50)/b17-16+/t32-,33+,34-,36+/m1/s1
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| InChIKey |
SRMPJKDHFPXOIQ-JDJNTPLHSA-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