General Information of the Compound
| Compound ID |
CP0417210
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| Compound Name |
CHEMBL3780105
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| Formula |
C18H13F3N4O
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| Molecular Weight |
358.323
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| Canonical SMILES |
NC1=C(C(=O)CN1c1cccc(c1)C(F)(F)F)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H13F3N4O/c19-18(20,21)10-4-3-5-11(8-10)25-9-14(26)15(16(25)22)17-23-12-6-1-2-7-13(12)24-17/h1-8H,9,22H2,(H,23,24)
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| InChIKey |
IEHCLFDKPSUUJA-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