General Information of the Compound
| Compound ID |
CP0539973
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| Compound Name |
US9346829, 29
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| Formula |
C20H22N4O3
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| Molecular Weight |
366.421
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)OC(=O)c1cn(-c2cn[nH]c2)c2ccccc12
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| InChI |
InChI=1S/C20H22N4O3/c1-23-13-6-16(7-14(23)12-26-11-13)27-20(25)18-10-24(15-8-21-22-9-15)19-5-3-2-4-17(18)19/h2-5,8-10,13-14,16H,6-7,11-12H2,1H3,(H,21,22)/t13-,14+,16-
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| InChIKey |
JUYYBADVHGNYNY-MIFYACCESA-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