General Information of the Compound
| Compound ID |
CP0372838
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| Compound Name |
4-N-(3-bromophenyl)-7-[(2,4-dichlorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H14BrCl2N5
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| Molecular Weight |
463.166
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| Canonical SMILES |
Nc1nc(Nc2cccc(Br)c2)c2ccn(Cc3ccc(Cl)cc3Cl)c2n1
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| InChI |
InChI=1S/C19H14BrCl2N5/c20-12-2-1-3-14(8-12)24-17-15-6-7-27(18(15)26-19(23)25-17)10-11-4-5-13(21)9-16(11)22/h1-9H,10H2,(H3,23,24,25,26)
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| InChIKey |
QJXJVWQREMSTBF-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