General Information of the Compound
| Compound ID |
CP0419995
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| Compound Name |
US9206199, 121
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| Structure |
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| Formula |
C23H24FN9O2
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| Molecular Weight |
477.504
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| Canonical SMILES |
Cc1nc(ncc1CC(=O)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1
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| InChI |
InChI=1S/C23H24FN9O2/c1-14-18(4-5-19(24)22(14)25-3)20-11-31-6-7-32(10-17(31)12-35-20)21(34)8-16-9-26-23(28-15(16)2)33-13-27-29-30-33/h4-5,9,13,17,20H,6-8,10-12H2,1-2H3/t17-,20+/m0/s1
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| InChIKey |
STMGYHXHFYPZAR-FXAWDEMLSA-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