General Information of the Compound
| Compound ID |
CP0425271
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| Compound Name |
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C24H19N5
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| Molecular Weight |
377.451
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(NCc3ccccc3)nc(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C24H19N5/c25-16-18-11-13-21(14-12-18)27-23-15-22(26-17-19-7-3-1-4-8-19)28-24(29-23)20-9-5-2-6-10-20/h1-15H,17H2,(H2,26,27,28,29)
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| InChIKey |
JEDYSFDWUDWTJH-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 = 4190 nM
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TI
LI
LO
TS
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