General Information of the Compound
| Compound ID |
CP0405524
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| Compound Name |
benzyl 2-[(4R)-3,3-dimethyl-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 |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
CC1(C)[C@@H](\C=C\c2ccccc2)N(C(C(=O)OCc2ccccc2)C2(C)OCCO2)C1=O
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| InChI |
InChI=1S/C26H29NO5/c1-25(2)21(15-14-19-10-6-4-7-11-19)27(24(25)29)22(26(3)31-16-17-32-26)23(28)30-18-20-12-8-5-9-13-20/h4-15,21-22H,16-18H2,1-3H3/b15-14+/t21-,22?/m1/s1
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| InChIKey |
MEDNQSZRVPCKGQ-CGDPHDHOSA-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