General Information of the Compound
| Compound ID |
CP0488725
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| Compound Name |
CHEMBL568209
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| Formula |
C21H28F2N6O
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| Molecular Weight |
418.492
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| Canonical SMILES |
CN(C)c1cc(nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)n1)N(C)C
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| InChI |
InChI=1S/C21H28F2N6O/c1-28(2)18-12-19(29(3)4)27-21(26-18)25-15-8-6-14(7-9-15)24-20(30)13-5-10-16(22)17(23)11-13/h5,10-12,14-15H,6-9H2,1-4H3,(H,24,30)(H,25,26,27)/t14-,15+
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| InChIKey |
OITPKJMPACUWKM-GASCZTMLSA-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