General Information of the Compound
| Compound ID |
CP0462845
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-3-(4-fluorophenyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
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| Structure |
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| Formula |
C25H26ClFN2O4
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| Molecular Weight |
472.944
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| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1
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| InChI |
InChI=1S/C25H26ClFN2O4/c26-20-10-6-17(7-11-20)15-28-24(31)14-19-4-2-1-3-5-23(30)29-22(16-33-25(19)32)18-8-12-21(27)13-9-18/h1-2,6-13,19,22H,3-5,14-16H2,(H,28,31)(H,29,30)/b2-1+/t19-,22-/m0/s1
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| InChIKey |
VTIGBNHBOYANTF-ZMMOYELXSA-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