General Information of the Compound
| Compound ID |
CP0122055
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| Compound Name |
2-N-(3-methyl-2H-indazol-6-yl)-4-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H13F3N6O
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| Molecular Weight |
362.315
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| Canonical SMILES |
Cc1n[nH]c2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
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| InChI |
InChI=1S/C16H13F3N6O/c1-8-10-3-2-9(6-12(10)25-24-8)21-15-22-11-4-5-26-13(11)14(23-15)20-7-16(17,18)19/h2-6H,7H2,1H3,(H,24,25)(H2,20,21,22,23)
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| InChIKey |
AVZLWQIRCCLZBT-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