General Information of the Compound
| Compound ID |
CP0392258
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| Compound Name |
4-N-(4-chloro-2-fluorophenyl)-6-(naphthalen-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H17ClFN5
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| Molecular Weight |
417.875
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| Canonical SMILES |
Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3cccc4ccccc34)[nH]c2n1
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| InChI |
InChI=1S/C23H17ClFN5/c24-15-8-9-20(19(25)11-15)28-22-18-12-16(27-21(18)29-23(26)30-22)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-9,11-12H,10H2,(H4,26,27,28,29,30)
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| InChIKey |
PRZWTILSLPADKE-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