General Information of the Compound
| Compound ID |
CP0707339
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| Compound Name |
SID24781146
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| Structure |
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| Formula |
C24H28N8O3
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| Molecular Weight |
476.541
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| Canonical SMILES |
O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)c1
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| InChI |
InChI=1S/C24H28N8O3/c33-32(34)19-9-7-8-18(16-19)21-11-10-20(35-21)17-25-29-22-26-23(30-12-3-1-4-13-30)28-24(27-22)31-14-5-2-6-15-31/h7-11,16-17H,1-6,12-15H2,(H,26,27,28,29)/b25-17+
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| InChIKey |
KHXYGMHITFMSSB-KOEQRZSOSA-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