General Information of the Compound
| Compound ID |
CP0074211
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| Compound Name |
US8664236, A30
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| Structure |
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| Formula |
C24H21N9
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| Molecular Weight |
435.495
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
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| InChI |
InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
GQJGAHNOKPIITD-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