General Information of the Compound
| Compound ID |
CP0321489
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| Compound Name |
cyclohexyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
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| Structure |
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| Formula |
C13H15N3O
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| Molecular Weight |
229.283
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| Canonical SMILES |
O=C(C1CCCCC1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C13H15N3O/c17-12(9-4-2-1-3-5-9)11-10-6-7-14-13(10)16-8-15-11/h6-9H,1-5H2,(H,14,15,16)
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| InChIKey |
LXLUYBJECKDFAP-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