General Information of the Compound
| Compound ID |
CP0568214
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| Compound Name |
(2S)-N-[(1S)-1-[5-(2-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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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)-c1ccc2nc(OC)ccc2c1
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| InChI |
InChI=1S/C31H41N5O3/c1-4-23(37)8-6-5-7-9-26(35-30(38)24-19-31(24)14-16-36(2)17-15-31)29-32-20-27(34-29)22-10-12-25-21(18-22)11-13-28(33-25)39-3/h10-13,18,20,24,26H,4-9,14-17,19H2,1-3H3,(H,32,34)(H,35,38)/t24-,26+/m1/s1
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| InChIKey |
VOCUPJYYWCXUPO-RSXGOPAZSA-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