General Information of the Compound
| Compound ID |
CP0191454
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| Compound Name |
4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C15H18N6
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| Molecular Weight |
282.351
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| Canonical SMILES |
NCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
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| InChI |
InChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21)
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| InChIKey |
YLQCPFMGXNGNQR-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