General Information of the Compound
| Compound ID |
CP0520241
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| Compound Name |
US9200001, 127
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| Structure |
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| Formula |
C21H20N6
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| Molecular Weight |
356.433
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1ccc2ccccc2n1
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| InChI |
InChI=1S/C21H20N6/c1-12-23-20(11-21(24-12)27-14(3)22-13(2)26-27)17-10-16(17)19-9-8-15-6-4-5-7-18(15)25-19/h4-9,11,16-17H,10H2,1-3H3/t16-,17-/m1/s1
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| InChIKey |
ZWVINXYDIPXGPI-IAGOWNOFSA-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