General Information of the Compound
| Compound ID |
CP0919511
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| Compound Name |
(S)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide
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| Structure |
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| Formula |
C27H35N5O3
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| Molecular Weight |
477.609
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc(OC)c3ccccc3n2)[nH]1
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| InChI |
InChI=1S/C27H35N5O3/c1-4-19(33)10-6-5-7-13-22(31-27(34)18-16-32(2)17-18)26-28-15-24(30-26)23-14-25(35-3)20-11-8-9-12-21(20)29-23/h8-9,11-12,14-15,18,22H,4-7,10,13,16-17H2,1-3H3,(H,28,30)(H,31,34)/t22-/m0/s1
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| InChIKey |
MPAWGBZPEYWJHS-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