General Information of the Compound
| Compound ID |
CP0497529
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| Compound Name |
US8754099, 4
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| Structure |
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| Formula |
C25H24FN7O2
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| Molecular Weight |
473.512
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| Canonical SMILES |
CCOC[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1
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| InChI |
InChI=1S/C25H24FN7O2/c1-3-34-13-25(24-33-32-14(2)35-24)22-17(16-6-4-5-7-18(16)29-22)10-20(31-25)23-28-12-21(30-23)19-9-8-15(26)11-27-19/h4-9,11-12,20,29,31H,3,10,13H2,1-2H3,(H,28,30)/t20-,25-/m1/s1
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| InChIKey |
CHMXVWCAPWMNFD-CJFMBICVSA-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