General Information of the Compound
| Compound ID |
CP0412145
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| Compound Name |
US9169224, 147
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| Structure |
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| Formula |
C18H20N4O3
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| Molecular Weight |
340.383
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| Canonical SMILES |
O=C(Nc1ccncc1)N1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C18H20N4O3/c23-18(20-15-3-5-19-6-4-15)22-9-7-21(8-10-22)12-14-1-2-16-17(11-14)25-13-24-16/h1-6,11H,7-10,12-13H2,(H,19,20,23)
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| InChIKey |
PWMFEFDFUKPJLN-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