General Information of the Compound
| Compound ID |
CP0392413
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| Compound Name |
7-benzyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
Nc1nc(N2CCNCC2)c2ccn(Cc3ccccc3)c2n1
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| InChI |
InChI=1S/C17H20N6/c18-17-20-15(22-10-7-19-8-11-22)14-6-9-23(16(14)21-17)12-13-4-2-1-3-5-13/h1-6,9,19H,7-8,10-12H2,(H2,18,20,21)
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| InChIKey |
JGAIGKSTYRMIPG-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