General Information of the Compound
| Compound ID |
CP0416715
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| Compound Name |
1-[2-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]ethynyl]cyclopentan-1-ol
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| Structure |
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| Formula |
C19H18N4O
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| Molecular Weight |
318.38
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| Canonical SMILES |
Nc1ncc2[nH]cc(-c3cccc(c3)C#CC3(O)CCCC3)c2n1
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| InChI |
InChI=1S/C19H18N4O/c20-18-22-12-16-17(23-18)15(11-21-16)14-5-3-4-13(10-14)6-9-19(24)7-1-2-8-19/h3-5,10-12,21,24H,1-2,7-8H2,(H2,20,22,23)
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| InChIKey |
REVGNNKBROATPD-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