General Information of the Compound
| Compound ID |
CP0565321
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| Compound Name |
US9434725, 184
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| Structure |
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| Formula |
C22H24N8
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| Molecular Weight |
400.49
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| Canonical SMILES |
CC1CCN(CCN1)c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C22H24N8/c1-15-6-8-29(9-7-24-15)21-4-3-5-22(28-21)30-20-10-18(25-12-17(20)13-26-30)19-14-23-11-16(2)27-19/h3-5,10-15,24H,6-9H2,1-2H3
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| InChIKey |
ATMQYZNWXYJUNO-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