General Information of the Compound
| Compound ID |
CP0548397
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| Compound Name |
US10604504, Example 59
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| Structure |
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| Formula |
C25H20N4O2
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| Molecular Weight |
408.461
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| Canonical SMILES |
Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O
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| InChI |
InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)
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| InChIKey |
JQPVRDYTZPWYRY-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