General Information of the Compound
| Compound ID |
CP0563314
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| Compound Name |
US9200001, 35
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2ccc(C)cn2)cc1OC
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| InChI |
InChI=1S/C26H28N6O2/c1-15-6-8-21(27-14-15)19-12-20(19)22-13-26(29-16(2)28-22)32-25(30-17(3)31-32)11-18-7-9-23(33-4)24(10-18)34-5/h6-10,13-14,19-20H,11-12H2,1-5H3
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| InChIKey |
DYJCHZJHKSHSMZ-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