General Information of the Compound
| Compound ID |
CP0300702
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| Compound Name |
US9073893, 66
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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 |
NC(=O)c1cccc2[nH]n(C3CCN(Cc4ccco4)CC3)c(=O)c12
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| InChI |
InChI=1S/C18H20N4O3/c19-17(23)14-4-1-5-15-16(14)18(24)22(20-15)12-6-8-21(9-7-12)11-13-3-2-10-25-13/h1-5,10,12,20H,6-9,11H2,(H2,19,23)
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| InChIKey |
FRGMDGKFVLOUCT-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