General Information of the Compound
| Compound ID |
CP0555385
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| Compound Name |
US9278960, 8-31
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| Structure |
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| Formula |
C24H21FN4O2
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| Molecular Weight |
416.456
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| Canonical SMILES |
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cccnc3N)ccc12)C(N)=O
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| InChI |
InChI=1S/C24H21FN4O2/c1-31-16-7-9-17(20(25)12-16)19-13-22(24(27)30)29-21-11-14(5-8-18(19)21)4-6-15-3-2-10-28-23(15)26/h2-3,5,7-13H,4,6H2,1H3,(H2,26,28)(H2,27,30)
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| InChIKey |
SEFMYTDKPUKFPP-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