General Information of the Compound
| Compound ID |
CP0231947
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| Compound Name |
1-(7-fluoroisoquinolin-6-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
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| Structure |
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| Formula |
C16H17FN4O2
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| Molecular Weight |
316.336
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| Canonical SMILES |
Fc1cc2cnccc2cc1NC(=O)NCC(=O)N1CCCC1
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| InChI |
InChI=1S/C16H17FN4O2/c17-13-7-12-9-18-4-3-11(12)8-14(13)20-16(23)19-10-15(22)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10H2,(H2,19,20,23)
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| InChIKey |
JDUZHDYFRLEGJA-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: PT02189, Protein arginine N-methyltransferase 3