General Information of the Compound
| Compound ID |
CP0112814
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| Compound Name |
4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C16H15N7
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| Molecular Weight |
305.345
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| Canonical SMILES |
CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
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| InChI |
InChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22)
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| InChIKey |
ALKWULYFERWLTF-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