General Information of the Compound
| Compound ID |
CP0510198
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| Compound Name |
US8680275, 134
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| Structure |
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| Formula |
C22H25N7O2
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| Molecular Weight |
419.489
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| Canonical SMILES |
COc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1)-n1nccn1
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| InChI |
InChI=1S/C22H25N7O2/c1-14-10-15(2)26-22(25-14)28-12-16-6-9-27(13-20(16)28)21(30)18-11-17(31-3)4-5-19(18)29-23-7-8-24-29/h4-5,7-8,10-11,16,20H,6,9,12-13H2,1-3H3/t16-,20-/m0/s1
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| InChIKey |
HNIYDSMNVPLFOY-JXFKEZNVSA-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