General Information of the Compound
| Compound ID |
CP0398270
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| Compound Name |
US9469631, 119
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| Structure |
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| Formula |
C25H24FN3O4
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| Molecular Weight |
449.482
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| Canonical SMILES |
Fc1ccc(OC(=O)N2CCC(CC2)N(C2CC2)C(=O)c2ccc(cc2)-c2cnco2)cc1
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| InChI |
InChI=1S/C25H24FN3O4/c26-19-5-9-22(10-6-19)33-25(31)28-13-11-21(12-14-28)29(20-7-8-20)24(30)18-3-1-17(2-4-18)23-15-27-16-32-23/h1-6,9-10,15-16,20-21H,7-8,11-14H2
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| InChIKey |
DSRIYYUMAOYBSJ-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