General Information of the Compound
| Compound ID |
CP0563672
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| Compound Name |
US9446130, 15
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| Structure |
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| Formula |
C27H24F3N9O2
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| Molecular Weight |
563.544
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2c1cnn2CCO
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| InChI |
InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)36-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-35-38(19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,36,41)/t20-/m1/s1
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| InChIKey |
RUEOOHIBYIRGCY-HXUWFJFHSA-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