General Information of the Compound
| Compound ID |
CP0393251
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| Compound Name |
US9434725, 207
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
COc1ccc(nc1N1CCNCC(O)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C22H24N8O2/c1-14-8-24-12-18(27-14)17-7-19-15(9-25-17)10-26-30(19)21-4-3-20(32-2)22(28-21)29-6-5-23-11-16(31)13-29/h3-4,7-10,12,16,23,31H,5-6,11,13H2,1-2H3
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| InChIKey |
VBLIOVPAIOHWTR-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