General Information of the Compound
| Compound ID |
CP0193836
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| Compound Name |
Bisanilinopyrimidine, 9b
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| Structure |
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| Formula |
C21H23ClN6O
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| Molecular Weight |
410.909
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
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| InChI |
InChI=1S/C21H23ClN6O/c1-28(2)14-13-23-20(29)15-7-9-16(10-8-15)25-21-24-12-11-19(27-21)26-18-6-4-3-5-17(18)22/h3-12H,13-14H2,1-2H3,(H,23,29)(H2,24,25,26,27)
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| InChIKey |
IUTUNANTVVQXCT-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