General Information of the Compound
| Compound ID |
CP0704813
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| Compound Name |
N4-(2-Chlorophenyl)-N2-[6-(1H-benzo[d]imidazol-2(3H)-one)]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H13ClN6O
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| Molecular Weight |
352.785
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| Canonical SMILES |
O=c1[nH]c2ccc(Nc3nccc(Nc4ccccc4Cl)n3)cc2[nH]1
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| InChI |
InChI=1S/C17H13ClN6O/c18-11-3-1-2-4-12(11)21-15-7-8-19-16(24-15)20-10-5-6-13-14(9-10)23-17(25)22-13/h1-9H,(H2,22,23,25)(H2,19,20,21,24)
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| InChIKey |
IHHQKCHZXRIDLL-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