General Information of the Compound
| Compound ID |
CP0487113
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| Compound Name |
US10604504, Example 60
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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 |
Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1C)-n1cnc2ccccc2c1=O
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| InChI |
InChI=1S/C25H20N4O2/c1-14-12-20-17(10-11-19(24(26)30)23(20)28-14)16-7-5-9-22(15(16)2)29-13-27-21-8-4-3-6-18(21)25(29)31/h3-13,28H,1-2H3,(H2,26,30)
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| InChIKey |
QCHPUFDUGNCATD-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