General Information of the Compound
| Compound ID |
CP0512900
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| Compound Name |
US10668051, Compound Example 22
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
O=C(Cc1ccccn1)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C22H22N4O/c27-22(13-18-3-1-2-12-23-18)24-17-8-10-19(11-9-17)26-21(16-6-7-16)14-20(25-26)15-4-5-15/h1-3,8-12,14-16H,4-7,13H2,(H,24,27)
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| InChIKey |
AXHWFMNIDPYRFF-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