General Information of the Compound
| Compound ID |
CP0522251
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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-(2-piperidin-1-ylethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C43H48F3N5O5
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| Molecular Weight |
771.881
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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)N2CCC(CCN3CCCCC3)CC2)c1
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| InChI |
InChI=1S/C43H48F3N5O5/c44-43(45,46)34-16-10-13-32(27-34)28-47-39(52)38(40(53)49-25-20-31(21-26-49)19-24-48-22-8-3-9-23-48)50-35(18-17-30-11-4-1-5-12-30)37(41(50)54)51-36(29-56-42(51)55)33-14-6-2-7-15-33/h1-2,4-7,10-18,27,31,35-38H,3,8-9,19-26,28-29H2,(H,47,52)/b18-17+/t35-,36-,37+,38?/m1/s1
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| InChIKey |
PQMVUQXKZKJLSQ-NXKZADLSSA-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