General Information of the Compound
| Compound ID |
CP0147199
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| Compound Name |
Bisanilinopyrimidine, 9c
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| Structure |
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| Formula |
C20H20ClN5O2
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| Molecular Weight |
397.866
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| Canonical SMILES |
COCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
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| InChI |
InChI=1S/C20H20ClN5O2/c1-28-13-12-22-19(27)14-6-8-15(9-7-14)24-20-23-11-10-18(26-20)25-17-5-3-2-4-16(17)21/h2-11H,12-13H2,1H3,(H,22,27)(H2,23,24,25,26)
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| InChIKey |
JXDMCBSKXVYKEG-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