General Information of the Compound
| Compound ID |
CP0636067
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| Compound Name |
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(3-oxo-3,4-dihydroquinoxalin-5-yloxy)acetamide
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
O=C(COc1cccc2ncc(=O)[nH]c12)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H24N4O4/c27-17(13-26-9-8-15-4-1-2-5-16(15)12-26)10-24-21(29)14-30-19-7-3-6-18-22(19)25-20(28)11-23-18/h1-7,11,17,27H,8-10,12-14H2,(H,24,29)(H,25,28)
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| InChIKey |
WMKVKLAEIRDAQJ-UHFFFAOYSA-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