General Information of the Compound
| Compound ID |
CP0732997
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| Compound Name |
SID49676635
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| Structure |
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| Formula |
C17H17F3N4O
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| Molecular Weight |
350.344
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| Canonical SMILES |
O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N4O/c18-17(19,20)16(25)21-13-6-4-5-12(11-13)14-7-8-15(23-22-14)24-9-2-1-3-10-24/h4-8,11H,1-3,9-10H2,(H,21,25)
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| InChIKey |
ZWFPLZCOFDXTTA-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