General Information of the Compound
| Compound ID |
CP0418814
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| Compound Name |
4-N-(3-bromophenyl)-7-[(4-phenylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H20BrN5
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| Molecular Weight |
470.374
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| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2ccn(Cc3ccc(cc3)-c3ccccc3)c2n1
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| InChI |
InChI=1S/C25H20BrN5/c26-20-7-4-8-21(15-20)28-23-22-13-14-31(24(22)30-25(27)29-23)16-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-15H,16H2,(H3,27,28,29,30)
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| InChIKey |
RGNRBHQMBNRGAR-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