General Information of the Compound
| Compound ID |
CP0374483
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| Compound Name |
benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
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| Structure |
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| Formula |
C33H32N2O7
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| Molecular Weight |
568.626
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| Canonical SMILES |
CC1(OCCO1)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C33H32N2O7/c1-33(41-19-20-42-33)29(31(37)39-21-24-13-7-3-8-14-24)35-26(18-17-23-11-5-2-6-12-23)28(30(35)36)34-27(22-40-32(34)38)25-15-9-4-10-16-25/h2-18,26-29H,19-22H2,1H3/b18-17+/t26-,27-,28+,29?/m1/s1
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| InChIKey |
SVRROAFHVMFZDD-YJNJIKGQSA-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