General Information of the Compound
Compound ID |
CP0419446
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Compound Name |
US9216972, 61
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Synonyms |
BDBM197666
CHEMBL3908750
SCHEMBL1806497
US9216972, 61
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Structure |
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Formula |
C25H18F3N3O5
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Molecular Weight |
497.429
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Canonical SMILES |
OC(=O)C1CN(Cc2ccc3-c4noc(c4COc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
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InChI |
InChI=1S/C25H18F3N3O5/c26-25(27,28)19-20(14-4-2-1-3-5-14)29-36-23(19)22-17-12-34-18-8-13(6-7-16(18)21(17)30-35-22)9-31-10-15(11-31)24(32)33/h1-8,15H,9-12H2,(H,32,33)
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InChIKey |
QUYMGOJIHUGBPQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Clinical Information about the Compound