General Information of the Compound
| Compound ID |
CP0571064
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| Compound Name |
7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C18H15F2N5
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| Molecular Weight |
339.349
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| Canonical SMILES |
CC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc12
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| InChI |
InChI=1S/C18H15F2N5/c1-10(2)25-15-6-3-12(7-11(15)8-23-25)24-18-13-4-5-14(19)16(20)17(13)21-9-22-18/h3-10H,1-2H3,(H,21,22,24)
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| InChIKey |
CABCUURODQCKED-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2