General Information of the Compound
| Compound ID |
CP0577445
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| Compound Name |
(2S)-6-(cyclopropylmethyl)-N-[(1S)-1-[5-(2-ethyl-7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C36H49N5O3
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| Molecular Weight |
599.82
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(CC)nc2cc1OC
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| InChI |
InChI=1S/C36H49N5O3/c1-4-26-14-13-25-19-28(33(44-3)20-31(25)38-26)32-22-37-34(39-32)30(10-8-6-7-9-27(42)5-2)40-35(43)29-21-36(29)15-17-41(18-16-36)23-24-11-12-24/h13-14,19-20,22,24,29-30H,4-12,15-18,21,23H2,1-3H3,(H,37,39)(H,40,43)/t29-,30+/m1/s1
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| InChIKey |
PCYLOOUDRYDZKH-IHLOFXLRSA-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