General Information of the Compound
| Compound ID |
CP0499381
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(3S,5E,12S)-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
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| Structure |
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| Formula |
C22H27ClN2O4
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| Molecular Weight |
418.921
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OC[C@@H]3CCCN3C2=O)cc1
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| InChI |
InChI=1S/C22H27ClN2O4/c23-18-10-8-16(9-11-18)14-24-20(26)13-17-5-2-1-3-7-21(27)29-15-19-6-4-12-25(19)22(17)28/h1-2,8-11,17,19H,3-7,12-15H2,(H,24,26)/b2-1+/t17-,19-/m0/s1
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| InChIKey |
RGHAJILHAYNMQS-TYKNPMJMSA-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