General Information of the Compound
| Compound ID |
CP0435283
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| Compound Name |
4-N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
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| Structure |
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| Formula |
C22H17F3N4O
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| Molecular Weight |
410.399
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| Canonical SMILES |
COc1cccc(Nc2nc(nc3ccc(N)cc23)-c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H17F3N4O/c1-30-17-7-3-6-16(12-17)27-21-18-11-15(26)8-9-19(18)28-20(29-21)13-4-2-5-14(10-13)22(23,24)25/h2-12H,26H2,1H3,(H,27,28,29)
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| InChIKey |
TYEIFLLXRISVSV-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2