General Information of the Compound
| Compound ID |
CP0708382
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| Compound Name |
3-((1H-Imidazol-1-yl)methyl)-N-((2S,3S)-3-methyl-1-oxo-1-(2-tosylhydrazinyl)pentan-2-yl)benzamide
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| Structure |
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| Formula |
C24H29N5O4S
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| Molecular Weight |
483.594
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)NNS(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C24H29N5O4S/c1-4-18(3)22(24(31)27-28-34(32,33)21-10-8-17(2)9-11-21)26-23(30)20-7-5-6-19(14-20)15-29-13-12-25-16-29/h5-14,16,18,22,28H,4,15H2,1-3H3,(H,26,30)(H,27,31)/t18-,22-/m0/s1
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| InChIKey |
XSCKYUATYZFAEO-AVRDEDQJSA-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