General Information of the Compound
| Compound ID |
CP0564894
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| Compound Name |
US9434725, 307
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| Structure |
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| Formula |
C20H20N8
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| Molecular Weight |
372.436
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| Canonical SMILES |
N[C@H]1CCC[C@@H]1Nc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccccn1
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| InChI |
InChI=1S/C20H20N8/c21-14-4-3-5-15(14)26-19-12-22-11-17(27-19)16-8-18-13(9-24-16)10-25-28(18)20-6-1-2-7-23-20/h1-2,6-12,14-15H,3-5,21H2,(H,26,27)/t14-,15-/m0/s1
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| InChIKey |
AMLBGFLCAMEAEJ-GJZGRUSLSA-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