General Information of the Compound
| Compound ID |
CP0919586
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| Compound Name |
(S)-3-(dimethylamino)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)propanamide
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| Structure |
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| Formula |
C27H37N5O3
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| Molecular Weight |
479.625
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)CCN(C)C)c1ncc(-c2cc(OC)c3ccccc3n2)[nH]1
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| InChI |
InChI=1S/C27H37N5O3/c1-5-19(33)11-7-6-8-14-22(30-26(34)15-16-32(2)3)27-28-18-24(31-27)23-17-25(35-4)20-12-9-10-13-21(20)29-23/h9-10,12-13,17-18,22H,5-8,11,14-16H2,1-4H3,(H,28,31)(H,30,34)/t22-/m0/s1
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| InChIKey |
HBRAKWPPZGSTLA-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