General Information of the Compound
| Compound ID |
CP0550232
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| Compound Name |
US8993612, 10
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| Structure |
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| Formula |
C26H24N4O
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| Molecular Weight |
408.505
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| Canonical SMILES |
O=C(Cc1ccc2ncccc2c1)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C26H24N4O/c31-26(15-17-3-12-23-20(14-17)2-1-13-27-23)28-21-8-10-22(11-9-21)30-25(19-6-7-19)16-24(29-30)18-4-5-18/h1-3,8-14,16,18-19H,4-7,15H2,(H,28,31)
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| InChIKey |
VMPRVBMCLLMYRA-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