General Information of the Compound
| Compound ID |
CP0549761
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| Compound Name |
US9206199, 38
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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(cn1)-n1cnnn1
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| InChI |
InChI=1S/C22H21FN8O2/c1-24-20-8-15(2-5-19(20)23)21-12-29-6-7-30(11-18(29)13-33-21)22(32)9-16-3-4-17(10-25-16)31-14-26-27-28-31/h2-5,8,10,14,18,21H,6-7,9,11-13H2/t18-,21-/m0/s1
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| InChIKey |
KLYYIYGBBSCDOT-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