General Information of the Compound
| Compound ID |
CP0526512
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| Compound Name |
US9181182, 55
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| Structure |
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| Formula |
C23H28N4O5
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| Molecular Weight |
440.5
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| Canonical SMILES |
CCOc1ccc(cc1OC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
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| InChI |
InChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3
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| InChIKey |
QGLUQLMBZFHPSW-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