General Information of the Compound
| Compound ID |
CP0425270
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| Compound Name |
4-[[2-phenyl-6-(4-phenylbutylamino)pyrimidin-4-yl]amino]benzonitrile
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| Formula |
C27H25N5
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| Molecular Weight |
419.532
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(NCCCCc3ccccc3)nc(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H25N5/c28-20-22-14-16-24(17-15-22)30-26-19-25(31-27(32-26)23-12-5-2-6-13-23)29-18-8-7-11-21-9-3-1-4-10-21/h1-6,9-10,12-17,19H,7-8,11,18H2,(H2,29,30,31,32)
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| InChIKey |
ZVFWVBKBTBQVAS-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