General Information of the Compound
| Compound ID |
CP0450764
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| Compound Name |
US8629158, 45
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| Structure |
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| Formula |
C25H22F2N4O2
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| Molecular Weight |
448.473
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(nc12)-n1ccc(OCc2ccc(F)cc2F)cc1=O
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| InChI |
InChI=1S/C25H22F2N4O2/c1-30-21-11-16-4-6-20(28-16)24(21)18-5-7-22(29-25(18)30)31-9-8-17(12-23(31)32)33-13-14-2-3-15(26)10-19(14)27/h2-3,5,7-10,12,16,20,28H,4,6,11,13H2,1H3
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| InChIKey |
ANPVUPBHIBDWBO-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