General Information of the Compound
| Compound ID |
CP0536794
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| Compound Name |
benzyl 2-[(3S,4R)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-2-(2-methyl-1,3-dioxolan-2-yl)acetate
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| Structure |
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| Formula |
C32H28N2O7
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| Molecular Weight |
552.583
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| Canonical SMILES |
CC1(OCCO1)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)C1=O)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H28N2O7/c1-32(40-18-19-41-32)27(31(38)39-20-22-12-6-3-7-13-22)33-25(17-16-21-10-4-2-5-11-21)26(30(33)37)34-28(35)23-14-8-9-15-24(23)29(34)36/h2-17,25-27H,18-20H2,1H3/b17-16+/t25-,26+,27?/m1/s1
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| InChIKey |
SNKFDMOTHXLZRN-NIGAPBQJSA-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