General Information of the Compound
| Compound ID |
CP0392422
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| Compound Name |
2-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C13H17N7O
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| Molecular Weight |
287.327
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| Canonical SMILES |
Nc1nc(N2CCN(CCO)CC2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C13H17N7O/c14-7-9-8-16-11-10(9)12(18-13(15)17-11)20-3-1-19(2-4-20)5-6-21/h8,21H,1-6H2,(H3,15,16,17,18)
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| InChIKey |
UVKWLMKUGNQKSD-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