General Information of the Compound
| Compound ID |
CP0529318
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| Compound Name |
US10668051, Compound Example 15
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
O=C(Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1)c1ccncc1
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| InChI |
InChI=1S/C21H20N4O/c26-21(16-9-11-22-12-10-16)23-17-5-7-18(8-6-17)25-20(15-3-4-15)13-19(24-25)14-1-2-14/h5-15H,1-4H2,(H,23,26)
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| InChIKey |
XSLDNIVHKPCLEH-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