General Information of the Compound
| Compound ID |
CP0314266
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| Compound Name |
Bisanilinopyrimidine, 9i
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| Structure |
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| Formula |
C16H14ClN5O2S
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| Molecular Weight |
375.841
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
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| InChI |
InChI=1S/C16H14ClN5O2S/c17-13-3-1-2-4-14(13)21-15-9-10-19-16(22-15)20-11-5-7-12(8-6-11)25(18,23)24/h1-10H,(H2,18,23,24)(H2,19,20,21,22)
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| InChIKey |
XNPFPPICVRIXSI-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