General Information of the Compound
| Compound ID |
CP0425485
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| Compound Name |
US10077266, Example 37
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| Structure |
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| Formula |
C25H33F2N5O3
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| Molecular Weight |
489.567
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| Canonical SMILES |
COCC(=O)N1CCc2nc(NC(C)C)c(nc2C1C)N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C25H33F2N5O3/c1-15(2)28-24-25(30-23-16(3)32(22(33)14-34-4)12-9-20(23)29-24)31-10-7-18(8-11-31)35-21-6-5-17(26)13-19(21)27/h5-6,13,15-16,18H,7-12,14H2,1-4H3,(H,28,29)
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| InChIKey |
QDVKQXNZCPPZFC-UHFFFAOYSA-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