General Information of the Compound
| Compound ID |
CP0557916
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| Compound Name |
US10245267, Example 1041
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| Structure |
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| Formula |
C25H28F2N6O3
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| Molecular Weight |
498.534
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| Canonical SMILES |
Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1
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| InChI |
InChI=1S/C25H28F2N6O3/c1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35)
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| InChIKey |
PKZOIWHEQLERMA-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