General Information of the Compound
| Compound ID |
CP0281997
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| Compound Name |
6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-tetraaza-tricyclo[11.10.2.0*3,7*]pentacos-10-yl)-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C27H45N5O6
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| Molecular Weight |
535.686
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| Canonical SMILES |
ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2
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| InChI |
InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1
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| InChIKey |
BVYNKHHGAJSMBT-CLAROIROSA-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