General Information of the Compound
| Compound ID |
CP0639045
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| Compound Name |
1-Isobutyl-4-(5-methylpyridin-2-yl)-1H-indole-6-carboxylic acid ((S)-2-hydroxy-1-methylethyl)amide
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| Structure |
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| Formula |
C21H26N4O2
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| Molecular Weight |
366.465
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3CC(C)C)nc1
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| InChI |
InChI=1S/C21H26N4O2/c1-13(2)11-25-20-8-16(21(27)24-15(4)12-26)7-17(18(20)10-23-25)19-6-5-14(3)9-22-19/h5-10,13,15,26H,11-12H2,1-4H3,(H,24,27)/t15-/m0/s1
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| InChIKey |
OWDAITQPPDDSMW-HNNXBMFYSA-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