General Information of the Compound
| Compound ID |
CP0424202
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| Compound Name |
US9062070, 74
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| Structure |
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| Formula |
C26H28N8O3
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| Molecular Weight |
500.563
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| Canonical SMILES |
COc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(C)c1[N+]#[C-]
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| InChI |
InChI=1S/C26H28N8O3/c1-16-19(6-7-22(36-3)25(16)27-2)23-13-32-8-9-33(12-18(32)14-37-23)26(35)20-5-4-17-10-24(28-11-21(17)20)34-15-29-30-31-34/h6-7,10-11,15,18,20,23H,4-5,8-9,12-14H2,1,3H3/t18-,20?,23-/m1/s1
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| InChIKey |
XOBWXKWLNFYMLG-ZBOFDPRTSA-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