General Information of the Compound
| Compound ID |
CP0488613
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| Compound Name |
US9434725, 260
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| Structure |
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| Formula |
C22H23F3N8O
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| Molecular Weight |
472.475
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| Canonical SMILES |
Cc1ccc(nc1N1CCNC[C@@H](O)C1)-n1ncc2cnc(cc12)-c1cnn(CC(F)(F)F)c1
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| InChI |
InChI=1S/C22H23F3N8O/c1-14-2-3-20(30-21(14)31-5-4-26-10-17(34)12-31)33-19-6-18(27-7-15(19)8-29-33)16-9-28-32(11-16)13-22(23,24)25/h2-3,6-9,11,17,26,34H,4-5,10,12-13H2,1H3/t17-/m1/s1
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| InChIKey |
LMYCHBCZOYRSRO-QGZVFWFLSA-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