General Information of the Compound
| Compound ID |
CP0469035
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| Compound Name |
4-(4-chlorophenoxy)-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C12H8ClN3O
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| Molecular Weight |
245.669
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| Canonical SMILES |
Clc1ccc(Oc2ncnc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C12H8ClN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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| InChIKey |
OIMUXKABPDVATD-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