General Information of the Compound
| Compound ID |
CP0506779
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| Compound Name |
US9062070, 52
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| Structure |
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| Formula |
C25H25FN8O3
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| Molecular Weight |
504.526
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| Canonical SMILES |
COc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C25H25FN8O3/c1-27-23-20(26)6-5-18(24(23)36-2)21-12-32-7-8-33(11-16(32)13-37-21)25(35)17-4-3-15-9-22(28-10-19(15)17)34-14-29-30-31-34/h5-6,9-10,14,16-17,21H,3-4,7-8,11-13H2,2H3/t16-,17?,21-/m0/s1
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| InChIKey |
PPWPHWDYVRNZPM-RFXBXZJJSA-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