General Information of the Compound
| Compound ID |
CP0553035
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| Compound Name |
5-((2-cyanoethyl)(methyl)amino)-N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C19H23N5O
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| Molecular Weight |
337.427
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| Canonical SMILES |
CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1
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| InChI |
InChI=1S/C19H23N5O/c1-19(2,15-8-5-4-6-9-15)14-23-18(25)16-12-22-17(13-21-16)24(3)11-7-10-20/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25)
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| InChIKey |
SVTWMEYUGUNSQJ-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