General Information of the Compound
| Compound ID |
CP0425267
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| Compound Name |
4-[[2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C23H18N6
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| Molecular Weight |
378.439
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(NCc3ccccn3)nc(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H18N6/c24-15-17-9-11-19(12-10-17)27-22-14-21(26-16-20-8-4-5-13-25-20)28-23(29-22)18-6-2-1-3-7-18/h1-14H,16H2,(H2,26,27,28,29)
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| InChIKey |
ILLUYMMJHZMCTR-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 = 8560 nM
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TI
LI
LO
TS
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