General Information of the Compound
| Compound ID |
CP0442158
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| Compound Name |
(2R,3S)-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]-N'-hydroxy-2-(2-methylpropyl)-3-propylbutanediamide
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| Structure |
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| Formula |
C24H37N3O4
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| Molecular Weight |
431.577
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| Canonical SMILES |
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2ccccc2)C1=O)C(=O)NO
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| InChI |
InChI=1S/C24H37N3O4/c1-4-10-19(23(29)26-31)20(15-17(2)3)22(28)25-21-13-8-9-14-27(24(21)30)16-18-11-6-5-7-12-18/h5-7,11-12,17,19-21,31H,4,8-10,13-16H2,1-3H3,(H,25,28)(H,26,29)/t19-,20+,21-/m0/s1
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| InChIKey |
NVCFHGAHJCTWCW-HBMCJLEFSA-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