General Information of the Compound
| Compound ID |
CP0539110
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| Compound Name |
US8802663, 153
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| Structure |
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| Formula |
C27H25N7O3
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| Molecular Weight |
495.543
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| Canonical SMILES |
OC(=O)c1cnn(Cc2ccc(cc2)-c2noc(n2)-c2cnn(C3CCCCC3)c2-c2ccncc2)c1
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| InChI |
InChI=1S/C27H25N7O3/c35-27(36)21-14-29-33(17-21)16-18-6-8-20(9-7-18)25-31-26(37-32-25)23-15-30-34(22-4-2-1-3-5-22)24(23)19-10-12-28-13-11-19/h6-15,17,22H,1-5,16H2,(H,35,36)
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| InChIKey |
SQNVXYLVWBRXHE-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