General Information of the Compound
| Compound ID |
CP0436153
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| Compound Name |
US10077266, Example 18
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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 |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)c1ccno1
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| InChI |
InChI=1S/C25H28F2N6O3/c1-15(2)29-23-24(32-10-6-17(7-11-32)35-21-4-3-16(26)13-18(21)27)31-19-8-12-33(14-20(19)30-23)25(34)22-5-9-28-36-22/h3-5,9,13,15,17H,6-8,10-12,14H2,1-2H3,(H,29,30)
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| InChIKey |
DFRPGOORGHJXGT-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