General Information of the Compound
| Compound ID |
CP0450164
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| Compound Name |
US9062070, 12
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| Structure |
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| Formula |
C26H27FN8O2
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| Molecular Weight |
502.554
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C26H27FN8O2/c1-16-18(6-8-21(27)25(16)28-2)23-13-33-10-11-34(12-17(33)14-37-23)26(36)20-4-3-5-22-19(20)7-9-24(30-22)35-15-29-31-32-35/h6-9,15,17,20,23H,3-5,10-14H2,1H3/t17-,20?,23+/m1/s1
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| InChIKey |
SCZGJGQHJNYQKV-MOOZSPDLSA-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