General Information of the Compound
| Compound ID |
CP0548013
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| Compound Name |
US9278960, 7-38
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| Structure |
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| Formula |
C21H18FN5O2
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| Molecular Weight |
391.406
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| Canonical SMILES |
COc1ccc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cn1
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| InChI |
InChI=1S/C21H18FN5O2/c1-27-11-14(10-25-27)16-8-17(21(23)28)26-20-15(16)5-4-13(19(20)22)7-12-3-6-18(29-2)24-9-12/h3-6,8-11H,7H2,1-2H3,(H2,23,28)
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| InChIKey |
GTTGIRXESFDMBX-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