General Information of the Compound
| Compound ID |
CP0281994
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| Compound Name |
6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipentyl-tetradecahydro-3a,6,9,12-tetraaza-cyclopentacyclododecen-11-yl)-hexanoic acid hydroxyamide
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| Structure |
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| Formula |
C27H47N5O6
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| Molecular Weight |
537.702
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| Canonical SMILES |
CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O
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| InChI |
InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1
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| InChIKey |
IYOLVIFIJXUYFW-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