General Information of the Compound
| Compound ID |
CP0209978
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| Compound Name |
(6S,7S)-5-methanesulfonyl-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C20H28N4O5S
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| Molecular Weight |
436.534
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C20H28N4O5S/c1-30(28,29)24-14-20(7-8-20)13-16(18(25)21-27)17(24)19(26)23-11-9-22(10-12-23)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1
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| InChIKey |
YZXVQIOBIKCYRB-IRXDYDNUSA-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