General Information of the Compound
| Compound ID |
CP0527152
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| Compound Name |
4-(2-(2-aminopyrimidin-4-yl)vinyl)benzonitrile
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| Structure |
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| Formula |
C13H10N4
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| Molecular Weight |
222.251
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| Canonical SMILES |
Nc1nccc(\C=C\c2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C13H10N4/c14-9-11-3-1-10(2-4-11)5-6-12-7-8-16-13(15)17-12/h1-8H,(H2,15,16,17)/b6-5+
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| InChIKey |
XGTKQLMKNUYJJN-AATRIKPKSA-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