General Information of the Compound
| Compound ID |
CP0136417
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| Compound Name |
(1S,2S,5S)-N-hydroxy-2-(4-(3-isopropylphenyl)piperidine-1-carbonyl)-5-(2-oxo-2-(piperidin-1-yl)ethyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C29H43N3O4
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| Molecular Weight |
497.68
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| Canonical SMILES |
CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1CC[C@H](CC(=O)N2CCCCC2)C[C@@H]1C(=O)NO
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| InChI |
InChI=1S/C29H43N3O4/c1-20(2)23-7-6-8-24(19-23)22-11-15-32(16-12-22)29(35)25-10-9-21(17-26(25)28(34)30-36)18-27(33)31-13-4-3-5-14-31/h6-8,19-22,25-26,36H,3-5,9-18H2,1-2H3,(H,30,34)/t21-,25-,26-/m0/s1
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| InChIKey |
ZABUEZYWKJKVJI-MZBJOSPHSA-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