General Information of the Compound
| Compound ID |
CP0800593
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| Compound Name |
3-((1H-Imidazol-1-yl)methyl)-N-((2S,3S)-1-(2-(butylsulfonyl)hydrazinyl)-3-methyl-1-oxopentan-2-yl)benzamide
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| Structure |
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| Formula |
C21H31N5O4S
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| Molecular Weight |
449.577
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| Canonical SMILES |
CCCCS(=O)(=O)NNC(=O)[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)[C@@H](C)CC
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| InChI |
InChI=1S/C21H31N5O4S/c1-4-6-12-31(29,30)25-24-21(28)19(16(3)5-2)23-20(27)18-9-7-8-17(13-18)14-26-11-10-22-15-26/h7-11,13,15-16,19,25H,4-6,12,14H2,1-3H3,(H,23,27)(H,24,28)/t16-,19-/m0/s1
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| InChIKey |
MPTLROKYVNNKPD-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