General Information of the Compound
| Compound ID |
CP0158681
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| Compound Name |
US8664236, A14
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| Structure |
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| Formula |
C24H24N8
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| Molecular Weight |
424.512
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| Canonical SMILES |
CCN(Cc1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C24H24N8/c1-3-32(14-16-7-5-4-6-8-16)22-10-21(29-24(25)30-22)20-13-27-23-19(20)9-17(11-26-23)18-12-28-31(2)15-18/h4-13,15H,3,14H2,1-2H3,(H,26,27)(H2,25,29,30)
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| InChIKey |
GLNHAAZDYFNFMG-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