General Information of the Compound
| Compound ID |
CP0566294
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| Compound Name |
US9200001, 42
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2cc3CCCn3n2)cc1OC
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| InChI |
InChI=1S/C26H29N7O2/c1-15-27-21(19-13-20(19)22-12-18-6-5-9-32(18)31-22)14-26(28-15)33-25(29-16(2)30-33)11-17-7-8-23(34-3)24(10-17)35-4/h7-8,10,12,14,19-20H,5-6,9,11,13H2,1-4H3
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| InChIKey |
PHEHYDFIWORXNN-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