General Information of the Compound
| Compound ID |
CP0406582
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| Compound Name |
3-[2-(2-aminoethyl)piperidin-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 |
C38H40F3N5O5
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| Molecular Weight |
703.762
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| Canonical SMILES |
NCCC1CCCCN1C(=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/c39-38(40,41)28-15-9-12-26(22-28)23-43-34(47)33(35(48)44-21-8-7-16-29(44)19-20-42)45-30(18-17-25-10-3-1-4-11-25)32(36(45)49)46-31(24-51-37(46)50)27-13-5-2-6-14-27/h1-6,9-15,17-18,22,29-33H,7-8,16,19-21,23-24,42H2,(H,43,47)/b18-17+/t29?,30-,31-,32+,33?/m1/s1
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| InChIKey |
UKSIODFAWNPNTL-FQARCQFUSA-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