General Information of the Compound
| Compound ID |
CP0475773
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| Compound Name |
US9206164, 34
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| Structure |
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| Formula |
C24H23N5O2
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| Molecular Weight |
413.481
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C#N)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H23N5O2/c1-3-19-18(12-23(30)31)22(4-2)29(28-19)14-15-5-8-17(9-6-15)24-26-20-10-7-16(13-25)11-21(20)27-24/h5-11H,3-4,12,14H2,1-2H3,(H,26,27)(H,30,31)
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| InChIKey |
VNQQIGASUHZMTB-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