General Information of the Compound
| Compound ID |
CP0539895
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| Compound Name |
US8993565, 132
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| Structure |
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| Formula |
C19H22N4O4
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| Molecular Weight |
370.409
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| Canonical SMILES |
OCc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C19H22N4O4/c24-12-13-2-1-3-15-14(13)4-5-23(15)19(26)10-16-20-17(11-18(25)21-16)22-6-8-27-9-7-22/h1-3,11,24H,4-10,12H2,(H,20,21,25)
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| InChIKey |
VZOGIVAROUTZMP-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