General Information of the Compound
| Compound ID |
CP0931328
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| Compound Name |
(S)-N-(1-(5-(2-fluoroquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide
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| Structure |
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| Formula |
C26H32FN5O2
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| Molecular Weight |
465.573
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2F)[nH]1
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| InChI |
InChI=1S/C26H32FN5O2/c1-3-19(33)10-5-4-6-12-22(31-26(34)18-15-32(2)16-18)25-28-14-23(30-25)20-13-17-9-7-8-11-21(17)29-24(20)27/h7-9,11,13-14,18,22H,3-6,10,12,15-16H2,1-2H3,(H,28,30)(H,31,34)/t22-/m0/s1
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| InChIKey |
OPWHKCBRLDVXPT-QFIPXVFZSA-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