General Information of the Compound
| Compound ID |
CP0516742
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| Compound Name |
US9200001, 106
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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 |
CCc1nc(CC)n(n1)-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H25N7/c1-5-19-26-20(6-2)29(27-19)21-12-17(23-13(3)24-21)14-11-15(14)22-25-16-9-7-8-10-18(16)28(22)4/h7-10,12,14-15H,5-6,11H2,1-4H3/t14-,15-/m1/s1
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| InChIKey |
GLEBCIDCVFVDTB-HUUCEWRRSA-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