General Information of the Compound
| Compound ID |
CP0440846
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| Compound Name |
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)quinazolin-4-amine
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| Structure |
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| Formula |
C22H24F3N5O
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| Molecular Weight |
431.462
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| Canonical SMILES |
COc1ccccc1N1CCN(CCNc2nc(nc3ccccc23)C(F)(F)F)CC1
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| InChI |
InChI=1S/C22H24F3N5O/c1-31-19-9-5-4-8-18(19)30-14-12-29(13-15-30)11-10-26-20-16-6-2-3-7-17(16)27-21(28-20)22(23,24)25/h2-9H,10-15H2,1H3,(H,26,27,28)
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| InChIKey |
FVJIMRXSKWNYGQ-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