General Information of the Compound
| Compound ID |
CP0708308
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| Compound Name |
3-((1H-Imidazol-1-yl)methyl)-N-((2S,3S)-1-(butylsulfonamido)-3-methyl-1-oxopentan-2-yl)benzamide
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| Structure |
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| Formula |
C21H30N4O4S
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| Molecular Weight |
434.562
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| Canonical SMILES |
CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)[C@@H](C)CC
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| InChI |
InChI=1S/C21H30N4O4S/c1-4-6-12-30(28,29)24-21(27)19(16(3)5-2)23-20(26)18-9-7-8-17(13-18)14-25-11-10-22-15-25/h7-11,13,15-16,19H,4-6,12,14H2,1-3H3,(H,23,26)(H,24,27)/t16-,19-/m0/s1
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| InChIKey |
FZKCLFAJXIBCHW-LPHOPBHVSA-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