General Information of the Compound
| Compound ID |
CP0513089
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| Compound Name |
N-hydroxy-6-[(1S,7R,10S,13R)-2,8,11,25-tetraoxo-16,21-dioxa-3,9,12,24-tetrazatricyclo[11.10.2.03,7]pentacosan-10-yl]hexanamide
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| Structure |
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| Formula |
C25H41N5O8
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| Molecular Weight |
539.63
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| Canonical SMILES |
ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCOCCCCOCC[C@@H](NC1=O)C(=O)N2
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| InChI |
InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1
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| InChIKey |
MXKQXLASRORHNH-ZGXWSNOMSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT03064, Histone deacetylase 6