General Information of the Compound
| Compound ID |
CP0522743
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)tetrazolo[1,5-a]quinoline-4-carboxamide
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| Structure |
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| Formula |
C25H14F7N5O
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| Molecular Weight |
533.407
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| Canonical SMILES |
Fc1ccc(cc1)-c1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2nnnn2c2ccccc12
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| InChI |
InChI=1S/C25H14F7N5O/c26-17-7-5-14(6-8-17)20-18-3-1-2-4-19(18)37-22(34-35-36-37)21(20)23(38)33-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h1-11H,12H2,(H,33,38)
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| InChIKey |
UYPFOARCMSMOBT-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