General Information of the Compound
| Compound ID |
CP0543660
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxyquinoxalin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C31H42N6O3
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| Molecular Weight |
546.716
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3nccnc3cc2OC)CC1
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| InChI |
InChI=1S/C31H42N6O3/c1-4-21(38)9-7-6-8-10-24(36-30(39)23-19-31(23)11-15-37(5-2)16-12-31)29-34-20-27(35-29)22-17-25-26(18-28(22)40-3)33-14-13-32-25/h13-14,17-18,20,23-24H,4-12,15-16,19H2,1-3H3,(H,34,35)(H,36,39)/t23-,24+/m1/s1
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| InChIKey |
MDGXAKPJTXGCJJ-RPWUZVMVSA-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