General Information of the Compound
| Compound ID |
CP0445195
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| Compound Name |
US10300060, Example 23-7
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| Structure |
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| Formula |
C30H20F3N7O2
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| Molecular Weight |
567.531
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| Canonical SMILES |
FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4[nH]ccc4c3)nc2)c1)-c1cccnc1
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| InChI |
InChI=1S/C30H20F3N7O2/c31-30(32,33)22-5-8-25(20-2-1-10-34-14-20)26(13-22)40-28(41)39-23-16-37-29(38-17-23)42-24-6-3-18(4-7-24)21-12-19-9-11-35-27(19)36-15-21/h1-17H,(H,35,36)(H2,39,40,41)
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| InChIKey |
DVMMNZKIWHSVNM-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