General Information of the Compound
| Compound ID |
CP0273963
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| Compound Name |
US9163008, 6
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| Structure |
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| Formula |
C24H22FN7O3
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| Molecular Weight |
475.484
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| Canonical SMILES |
Cn1cnc(C[C@H](Nc2cc(nc(n2)-c2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)C(N)=O)c1
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| InChI |
InChI=1S/C24H22FN7O3/c1-32-12-16(28-13-32)10-19(22(26)33)29-21-11-20(23(27)34)30-24(31-21)14-2-6-17(7-3-14)35-18-8-4-15(25)5-9-18/h2-9,11-13,19H,10H2,1H3,(H2,26,33)(H2,27,34)(H,29,30,31)/t19-/m0/s1
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| InChIKey |
ZDERPCQJJSCVAI-IBGZPJMESA-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