General Information of the Compound
| Compound ID |
CP0561360
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| Compound Name |
US9206199, 50
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| Structure |
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| Formula |
C24H26N8O3
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| Molecular Weight |
474.525
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| Canonical SMILES |
COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)Cc2ccc(nc2)-n2cnnn2)c(C)c1[N+]#[C-]
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| InChI |
InChI=1S/C24H26N8O3/c1-16-19(5-6-20(34-3)24(16)25-2)21-13-30-8-9-31(12-18(30)14-35-21)23(33)10-17-4-7-22(26-11-17)32-15-27-28-29-32/h4-7,11,15,18,21H,8-10,12-14H2,1,3H3/t18-,21-/m0/s1
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| InChIKey |
NIGHEYXVVCPVJO-RXVVDRJESA-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