General Information of the Compound
| Compound ID |
CP0484431
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| Compound Name |
US9346829, 19
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| Formula |
C22H20N4O3
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| Molecular Weight |
388.427
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| Canonical SMILES |
O=C(O[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2ccnc(c2)C#N)c2ccccc12
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| InChI |
InChI=1S/C22H20N4O3/c23-10-14-7-17(5-6-24-14)26-11-20(19-3-1-2-4-21(19)26)22(27)29-18-8-15-12-28-13-16(9-18)25-15/h1-7,11,15-16,18,25H,8-9,12-13H2/t15-,16+,18-
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| InChIKey |
YTBBUCWPGWCCJZ-ALXJQNPVSA-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