General Information of the Compound
| Compound ID |
CP0524437
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| Compound Name |
US9062070, 71
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| Structure |
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| Formula |
C25H26N8O2
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| Molecular Weight |
470.537
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| Canonical SMILES |
Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1)[N+]#[C-]
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| InChI |
InChI=1S/C25H26N8O2/c1-16-18(4-3-5-21(16)26-2)23-13-31-10-11-32(12-17(31)14-35-23)25(34)20-6-8-22-19(20)7-9-24(28-22)33-15-27-29-30-33/h3-5,7,9,15,17,20,23H,6,8,10-14H2,1H3/t17-,20?,23-/m0/s1
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| InChIKey |
VCMCFFKBVWQCLM-FLOOPIEZSA-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