General Information of the Compound
| Compound ID |
CP0464455
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| Compound Name |
US9062048, 102
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| Formula |
C26H34F3N5O
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| Molecular Weight |
489.586
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCCC3)c2c1
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| InChI |
InChI=1S/C26H34F3N5O/c27-26(28,29)19-8-11-23-22(12-19)25(32-16-31-23)30-13-24(35)33-20-14-34(15-20)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h8,11-12,16-18,20-21H,1-7,9-10,13-15H2,(H,33,35)(H,30,31,32)/t18-,21+
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| InChIKey |
NNWAEZZZIUBJKP-RVWIWJKTSA-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