General Information of the Compound
| Compound ID |
CP0470538
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| Compound Name |
2-amino-4-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C14H11N5O
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| Molecular Weight |
265.276
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| Canonical SMILES |
Nc1nc(-c2ccc(CO)cc2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)
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| InChIKey |
BJQSJIPGTMBHKF-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
Protein ID: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta