General Information of the Compound
| Compound ID |
CP0444115
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| Compound Name |
4-[[2-phenyl-6-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzonitrile
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| Formula |
C26H23N5
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| Molecular Weight |
405.505
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(NCCCc3ccccc3)nc(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H23N5/c27-19-21-13-15-23(16-14-21)29-25-18-24(28-17-7-10-20-8-3-1-4-9-20)30-26(31-25)22-11-5-2-6-12-22/h1-6,8-9,11-16,18H,7,10,17H2,(H2,28,29,30,31)
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| InChIKey |
FQZCMALWZKOTSE-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2