General Information of the Compound
| Compound ID |
CP0069966
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| Compound Name |
(1S,2S,5RS)-N-hydroxy-5-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C25H37N5O4
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| Molecular Weight |
471.602
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| Canonical SMILES |
CN1CCN(CC1)C(=O)CC1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H37N5O4/c1-27-9-11-29(12-10-27)23(31)18-19-7-8-21(22(17-19)24(32)26-34)25(33)30-15-13-28(14-16-30)20-5-3-2-4-6-20/h2-6,19,21-22,34H,7-18H2,1H3,(H,26,32)/t19?,21-,22-/m0/s1
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| InChIKey |
AVCGYVHCLDMOAW-GFUWAVFVSA-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