General Information of the Compound
| Compound ID |
CP0404975
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| Compound Name |
US10300060, Example 21-1
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| Structure |
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| Formula |
C32H24F3N9O2
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| Molecular Weight |
623.599
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| Canonical SMILES |
FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnn4ccc(nc34)N3CCC3)nc2)c1)-c1cccnc1
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| InChI |
InChI=1S/C32H24F3N9O2/c33-32(34,35)22-6-9-25(21-3-1-11-36-16-21)27(15-22)41-30(45)40-23-17-37-31(38-18-23)46-24-7-4-20(5-8-24)26-19-39-44-14-10-28(42-29(26)44)43-12-2-13-43/h1,3-11,14-19H,2,12-13H2,(H2,40,41,45)
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| InChIKey |
WVDZWVCECWNBOP-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