General Information of the Compound
| Compound ID |
CP0505576
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| Compound Name |
2-[(4S,5S)-4-(4-Fluorophenyl)-5-methyl-4-(6-oxo-1,6-dihydro-3-pyridyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
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| Structure |
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| Formula |
C21H16FN5O
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| Molecular Weight |
373.391
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| Canonical SMILES |
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1)c1cc(ccn1)C#N
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| InChI |
InChI=1S/C21H16FN5O/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(28)25-12-16)27-20(26-13)18-10-14(11-23)8-9-24-18/h2-10,12-13H,1H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1
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| InChIKey |
CRADFRMFRDPNRP-ZSEKCTLFSA-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