General Information of the Compound
| Compound ID |
CP0554215
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| Compound Name |
US9062070, 32
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| Structure |
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| Formula |
C24H22ClFN8O2
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| Molecular Weight |
508.945
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| Canonical SMILES |
Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-]
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| InChI |
InChI=1S/C24H22ClFN8O2/c1-27-23-19(26)5-4-17(22(23)25)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20+/m0/s1
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| InChIKey |
RDHHQAZHBLXKNI-XNKIQEMOSA-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