General Information of the Compound
| Compound ID |
CP0402191
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| Compound Name |
4-N-(3-bromophenyl)-7-(naphthalen-1-ylmethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H18BrN5
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| Molecular Weight |
444.336
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| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2ccn(Cc3cccc4ccccc34)c2n1
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| InChI |
InChI=1S/C23H18BrN5/c24-17-8-4-9-18(13-17)26-21-20-11-12-29(22(20)28-23(25)27-21)14-16-7-3-6-15-5-1-2-10-19(15)16/h1-13H,14H2,(H3,25,26,27,28)
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| InChIKey |
XETBAKDIRRDIRG-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