General Information of the Compound
| Compound ID |
CP0462963
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| Compound Name |
(3R,8E,11R)-11-methyl-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
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| Structure |
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| Formula |
C17H21NO3
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| Molecular Weight |
287.359
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| Canonical SMILES |
C[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1
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| InChI |
InChI=1S/C17H21NO3/c1-13-8-4-2-7-11-16(19)18-15(12-21-17(13)20)14-9-5-3-6-10-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,18,19)/b4-2+/t13-,15+/m1/s1
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| InChIKey |
AFIXJTADPDHGEE-MWDOINLKSA-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