General Information of the Compound
| Compound ID |
CP0365386
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| Compound Name |
Bisanilinopyrimidine, 12c
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| Structure |
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| Formula |
C17H12ClFN8O
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| Molecular Weight |
398.789
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| Canonical SMILES |
Oc1cc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)ccc1-c1nnn[nH]1
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| InChI |
InChI=1S/C17H12ClFN8O/c18-11-3-1-2-4-13(11)22-16-12(19)8-20-17(23-16)21-9-5-6-10(14(28)7-9)15-24-26-27-25-15/h1-8,28H,(H2,20,21,22,23)(H,24,25,26,27)
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| InChIKey |
UHSGZEJRMQHHSF-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