General Information of the Compound
| Compound ID |
CP0968206
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| Compound Name |
(3S,4R)-3-((1H-benzo[d]imidazol-2-yl)amino)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C18H16F2N4O2
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| Molecular Weight |
358.348
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nc3ccccc3[nH]2)c(F)c1
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| InChI |
InChI=1S/C18H16F2N4O2/c1-26-9-6-11(19)15(12(20)7-9)10-8-21-17(25)16(10)24-18-22-13-4-2-3-5-14(13)23-18/h2-7,10,16H,8H2,1H3,(H,21,25)(H2,22,23,24)/t10-,16-/m0/s1
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| InChIKey |
JCQVMEZJUYKXQS-QFYYESIMSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2