General Information of the Compound
| Compound ID |
CP0349899
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| Compound Name |
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(3-fluoro-4-methoxyphenyl)-5-methylimidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C23H21F2N5O2
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| Molecular Weight |
437.45
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| Canonical SMILES |
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C23H21F2N5O2/c1-13-21(23(31)29-8-7-16(27)12-29)28-22(14-3-4-15(11-26)18(24)9-14)30(13)17-5-6-20(32-2)19(25)10-17/h3-6,9-10,16H,7-8,12,27H2,1-2H3/t16-/m0/s1
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| InChIKey |
QQRGXMPVIUUEKS-INIZCTEOSA-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