General Information of the Compound
| Compound ID |
CP0072037
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| Compound Name |
3-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
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| Structure |
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| Formula |
C19H14N4
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| Molecular Weight |
298.349
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| Canonical SMILES |
C(=C/c1nccc(n1)-c1c[nH]c2cnccc12)\c1ccccc1
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| InChI |
InChI=1S/C19H14N4/c1-2-4-14(5-3-1)6-7-19-21-11-9-17(23-19)16-12-22-18-13-20-10-8-15(16)18/h1-13,22H/b7-6+
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| InChIKey |
SSUYSUSCBUXMBR-VOTSOKGWSA-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: PT00874, Cyclin-dependent kinase 2
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B