General Information of the Compound
| Compound ID |
CP0561189
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| Compound Name |
US9493474, 23
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| Structure |
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@H](O)CN1CC2CN(CC(O)c3ccc(cn3)C#N)C2C1
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| InChI |
InChI=1S/C24H26N4O4/c1-14-17(3-4-18-19(14)13-32-24(18)31)22(29)11-27-8-16-9-28(21(16)10-27)12-23(30)20-5-2-15(6-25)7-26-20/h2-5,7,16,21-23,29-30H,8-13H2,1H3/t16?,21?,22-,23?/m1/s1
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| InChIKey |
HXYIKMIUGXJBHT-AANUPNRUSA-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