General Information of the Compound
| Compound ID |
CP0572973
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| Compound Name |
(2S)-N-[(1S)-1-[5-(3a,7a-dihydro-1,3-benzothiazol-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C28H39N5O2S
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| Molecular Weight |
509.72
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)C1=CC2SC=NC2C=C1
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| InChI |
InChI=1S/C28H39N5O2S/c1-3-20(34)7-5-4-6-8-23(32-27(35)21-16-28(21)11-13-33(2)14-12-28)26-29-17-24(31-26)19-9-10-22-25(15-19)36-18-30-22/h9-10,15,17-18,21-23,25H,3-8,11-14,16H2,1-2H3,(H,29,31)(H,32,35)/t21-,22?,23+,25?/m1/s1
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| InChIKey |
DAYIQZXDBBYZNJ-HNMULJTMSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3