General Information of the Compound
| Compound ID |
CP0563958
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| Compound Name |
US9200001, 71
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| Structure |
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| Formula |
C22H25N7
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| Molecular Weight |
387.491
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| Canonical SMILES |
CC(C)n1c(nc2ccccc12)[C@@H]1C[C@H]1c1cc(nc(C)n1)-n1nc(C)nc1C
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| InChI |
InChI=1S/C22H25N7/c1-12(2)28-20-9-7-6-8-18(20)26-22(28)17-10-16(17)19-11-21(25-13(3)24-19)29-15(5)23-14(4)27-29/h6-9,11-12,16-17H,10H2,1-5H3/t16-,17-/m1/s1
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| InChIKey |
DWTFCILONBADQH-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