General Information of the Compound
| Compound ID |
CP0491573
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| Compound Name |
US9079906, 144
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| Structure |
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| Formula |
C26H36N6O4
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| Molecular Weight |
496.612
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| Canonical SMILES |
CCOc1nn2c(cc1CC)nn(CC(=O)c1cc(N3CCOCC3)c(OC)c(c1)C(C)(C)C)c2=N
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| InChI |
InChI=1S/C26H36N6O4/c1-7-17-15-22-28-31(25(27)32(22)29-24(17)36-8-2)16-21(33)18-13-19(26(3,4)5)23(34-6)20(14-18)30-9-11-35-12-10-30/h13-15,27H,7-12,16H2,1-6H3
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| InChIKey |
GIGUNLQHLPMKBH-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