General Information of the Compound
| Compound ID |
CP0181806
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| Compound Name |
1-isoquinolin-6-yl-3-[2-oxo-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethyl]urea
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| Structure |
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| Formula |
C16H14F4N4O2
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| Molecular Weight |
370.306
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| Canonical SMILES |
FC1(F)CN(CC1(F)F)C(=O)CNC(=O)Nc1ccc2cnccc2c1
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| InChI |
InChI=1S/C16H14F4N4O2/c17-15(18)8-24(9-16(15,19)20)13(25)7-22-14(26)23-12-2-1-11-6-21-4-3-10(11)5-12/h1-6H,7-9H2,(H2,22,23,26)
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| InChIKey |
UFDKSBSTTLCMOV-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