General Information of the Compound
| Compound ID |
CP0864074
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| Compound Name |
N4-(4-(Trifluoromethyl)phenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H13F3N4
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| Molecular Weight |
342.324
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| Canonical SMILES |
Nc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)-c1ccccc1C2
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| InChI |
InChI=1S/C18H13F3N4/c19-18(20,21)11-5-7-12(8-6-11)23-16-15-13-4-2-1-3-10(13)9-14(15)24-17(22)25-16/h1-8H,9H2,(H3,22,23,24,25)
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| InChIKey |
LREDHDABOIKCQR-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