General Information of the Compound
| Compound ID |
CP0559130
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| Compound Name |
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(5-quinolin-3-ylindol-1-yl)acetamide
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
CC(C)C[C@@H](CO)NC(=O)Cn1ccc2cc(ccc12)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C25H27N3O2/c1-17(2)11-22(16-29)27-25(30)15-28-10-9-20-12-18(7-8-24(20)28)21-13-19-5-3-4-6-23(19)26-14-21/h3-10,12-14,17,22,29H,11,15-16H2,1-2H3,(H,27,30)/t22-/m0/s1
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| InChIKey |
HQQKJWIPKUANMH-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