General Information of the Compound
| Compound ID |
CP0238983
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| Compound Name |
Bisanilinopyrimidine, 9j
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| Structure |
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| Formula |
C20H19ClFN5O
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| Molecular Weight |
399.857
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| Canonical SMILES |
Fc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1Cl
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| InChI |
InChI=1S/C20H19ClFN5O/c21-16-3-1-2-4-18(16)25-19-17(22)13-23-20(26-19)24-14-5-7-15(8-6-14)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H2,23,24,25,26)
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| InChIKey |
GGUACUDIPNNWFV-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