General Information of the Compound
| Compound ID |
CP0561358
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| Compound Name |
US9206199, 37
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| Structure |
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| Formula |
C22H21FN8O2
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| Molecular Weight |
448.462
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| Canonical SMILES |
Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C22H21FN8O2/c1-24-19-9-16(3-4-18(19)23)20-12-29-6-7-30(11-17(29)13-33-20)22(32)8-15-2-5-21(25-10-15)31-14-26-27-28-31/h2-5,9-10,14,17,20H,6-8,11-13H2/t17-,20-/m0/s1
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| InChIKey |
NHDQCAXACZGFKK-PXNSSMCTSA-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