General Information of the Compound
| Compound ID |
CP0556095
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| Compound Name |
US9062048, 109
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| Formula |
C21H26F3N5O2
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| Molecular Weight |
437.466
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| Canonical SMILES |
OC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C21H26F3N5O2/c22-21(23,24)14-3-6-18-17(7-14)20(27-12-26-18)25-8-19(31)28-15-9-29(10-15)16-4-1-13(11-30)2-5-16/h3,6-7,12-13,15-16,30H,1-2,4-5,8-11H2,(H,28,31)(H,25,26,27)/t13-,16+
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| InChIKey |
ZSWSLAGMGQTCMX-AKAXFMLLSA-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