General Information of the Compound
| Compound ID |
CP0240521
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| Compound Name |
4-(3-aminopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C14H16N6
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| Molecular Weight |
268.324
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| Canonical SMILES |
NCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
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| InChI |
InChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20)
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| InChIKey |
IJNFIPXBSIWMSM-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