General Information of the Compound
| Compound ID |
CP0574817
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| Compound Name |
US9062070, 83
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| Structure |
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| Formula |
C23H21ClFN9O2
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| Molecular Weight |
509.933
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| Canonical SMILES |
Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-]
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| InChI |
InChI=1S/C23H21ClFN9O2/c1-26-21-17(25)4-2-15(20(21)24)19-10-32-6-7-33(9-13(32)11-36-19)22(35)14-3-5-18-16(14)8-27-23(29-18)34-12-28-30-31-34/h2,4,8,12-14,19H,3,5-7,9-11H2/t13-,14?,19-/m1/s1
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| InChIKey |
KWBYMUBAIAICGT-BOOUNLCJSA-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