General Information of the Compound
| Compound ID |
CP0559643
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| Compound Name |
US9200001, 73
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| Structure |
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| Formula |
C25H24N8
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| Molecular Weight |
436.523
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1Cc1ccccn1
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| InChI |
InChI=1S/C25H24N8/c1-15-28-22(13-24(29-15)33-17(3)27-16(2)31-33)19-12-20(19)25-30-21-9-4-5-10-23(21)32(25)14-18-8-6-7-11-26-18/h4-11,13,19-20H,12,14H2,1-3H3/t19-,20-/m1/s1
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| InChIKey |
LGIHIWGLTPTKKI-WOJBJXKFSA-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