General Information of the Compound
| Compound ID |
CP0267383
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| Compound Name |
Bisanilinopyrimidine, 9h
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| Structure |
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| Formula |
C20H20ClN5O
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| Molecular Weight |
381.867
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| Canonical SMILES |
Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
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| InChI |
InChI=1S/C20H20ClN5O/c21-17-3-1-2-4-18(17)24-19-9-10-22-20(25-19)23-15-5-7-16(8-6-15)26-11-13-27-14-12-26/h1-10H,11-14H2,(H2,22,23,24,25)
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| InChIKey |
SWLCIRDDAOKOHP-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