General Information of the Compound
| Compound ID |
CP0545118
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| Compound Name |
US9278960, 3-37
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| Structure |
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| Formula |
C29H20FN5O
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| Molecular Weight |
473.511
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)-c3cccnc3)cc2n1
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| InChI |
InChI=1S/C29H20FN5O/c30-21-10-8-19(9-11-21)23-15-26(28(31)36)33-25-14-18(7-12-22(23)25)17-35-27-6-2-1-5-24(27)34-29(35)20-4-3-13-32-16-20/h1-16H,17H2,(H2,31,36)
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| InChIKey |
IXGOIVLQUGJDTP-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