General Information of the Compound
| Compound ID |
CP0436799
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(1S,4S,6E,12R)-3,10-dioxo-2-oxa-11-azatricyclo[10.7.0.013,18]nonadeca-6,13,15,17-tetraen-4-yl]acetamide
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| Structure |
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| Formula |
C26H27ClN2O4
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| Molecular Weight |
466.965
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@H]3[C@H](Cc4ccccc34)OC2=O)cc1
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| InChI |
InChI=1S/C26H27ClN2O4/c27-20-12-10-17(11-13-20)16-28-24(31)15-19-7-2-1-3-9-23(30)29-25-21-8-5-4-6-18(21)14-22(25)33-26(19)32/h1-2,4-6,8,10-13,19,22,25H,3,7,9,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-,25+/m0/s1
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| InChIKey |
GWFKHZRABSRIEY-SNQMWDEISA-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