General Information of the Compound
| Compound ID |
CP0947542
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| Compound Name |
1-Butyl-4-(5-methylpyridin-2-yl)-1H-indazole-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 |
CCCCn1ncc2c(-c3ccc(C)cn3)cc(C(=O)N[C@@H](C)CO)cc21
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| InChI |
InChI=1S/C21H26N4O2/c1-4-5-8-25-20-10-16(21(27)24-15(3)13-26)9-17(18(20)12-23-25)19-7-6-14(2)11-22-19/h6-7,9-12,15,26H,4-5,8,13H2,1-3H3,(H,24,27)/t15-/m0/s1
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| InChIKey |
SIPRRMOTFSPECJ-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