General Information of the Compound
| Compound ID |
CP0438243
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| Compound Name |
US8664236, A42
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| Structure |
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| Formula |
C24H20FN7
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| Molecular Weight |
425.471
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1
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| InChI |
InChI=1S/C24H20FN7/c1-32-13-15(11-29-32)14-8-16-17(12-28-22(16)27-10-14)20-9-21(31-23(26)30-20)24(6-7-24)18-4-2-3-5-19(18)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
CUHXIPDONWEGGN-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