General Information of the Compound
| Compound ID |
CP0544340
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| Compound Name |
US9278960, 7-33
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| Structure |
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| Formula |
C22H19FN6O
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| Molecular Weight |
402.433
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2c(F)c(Cc3cnc(nc3)C3CC3)ccc12)C(N)=O
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| InChI |
InChI=1S/C22H19FN6O/c1-29-11-15(10-27-29)17-7-18(21(24)30)28-20-16(17)5-4-14(19(20)23)6-12-8-25-22(26-9-12)13-2-3-13/h4-5,7-11,13H,2-3,6H2,1H3,(H2,24,30)
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| InChIKey |
HPXSKODGNCBYRZ-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