General Information of the Compound
| Compound ID |
CP0579915
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| Compound Name |
(2S)-6-methyl-N-[(1S)-1-[5-(1-methyl-4-oxoquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C31H41N5O3
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| Molecular Weight |
531.701
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cn(C)c2ccccc2c1=O
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| InChI |
InChI=1S/C31H41N5O3/c1-4-21(37)10-6-5-7-12-25(34-30(39)24-18-31(24)14-16-35(2)17-15-31)29-32-19-26(33-29)23-20-36(3)27-13-9-8-11-22(27)28(23)38/h8-9,11,13,19-20,24-25H,4-7,10,12,14-18H2,1-3H3,(H,32,33)(H,34,39)/t24-,25+/m1/s1
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| InChIKey |
INNDKWJOTJXKOA-RPBOFIJWSA-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