General Information of the Compound
| Compound ID |
CP0426303
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| Compound Name |
US9200001, 43
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| Structure |
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| Formula |
C26H28N6O3
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| Molecular Weight |
472.549
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| Canonical SMILES |
COc1ccc(nc1)C1CC1c1cc(nc(C)n1)-n1nc(C)nc1Cc1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C26H28N6O3/c1-15-28-22(20-12-19(20)21-8-7-18(33-3)14-27-21)13-26(29-15)32-25(30-16(2)31-32)11-17-6-9-23(34-4)24(10-17)35-5/h6-10,13-14,19-20H,11-12H2,1-5H3
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| InChIKey |
CDZBKSOWBOQMTN-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