General Information of the Compound
| Compound ID |
CP0511049
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| Compound Name |
N-[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
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| Structure |
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| Formula |
C20H19F2N3
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| Molecular Weight |
339.389
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| Canonical SMILES |
Fc1cccc(F)c1CN1CCC(C1)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C20H19F2N3/c21-18-4-2-5-19(22)17(18)13-25-10-8-15(12-25)24-20-6-1-3-14-11-23-9-7-16(14)20/h1-7,9,11,15,24H,8,10,12-13H2
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| InChIKey |
MHCQGPSBRNOVHU-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