General Information of the Compound
| Compound ID |
CP0465581
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| Compound Name |
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
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| Structure |
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| Formula |
C21H26FN3
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| Molecular Weight |
339.458
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| Canonical SMILES |
CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCc1cccc(F)c1
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| InChI |
InChI=1S/C21H26FN3/c1-16(2)13-20-15-23-21(24-19-9-4-3-5-10-19)25(20)12-11-17-7-6-8-18(22)14-17/h3-10,14,16,20H,11-13,15H2,1-2H3,(H,23,24)/t20-/m0/s1
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| InChIKey |
DUFPETSFFNHNBT-FQEVSTJZSA-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: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3