General Information of the Compound
| Compound ID |
CP0578925
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| Compound Name |
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C32H41N5O2
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| Molecular Weight |
527.713
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C32H41N5O2/c1-3-26(38)9-5-4-6-10-28(36-31(39)27-20-32(27)15-18-37(2)19-16-32)30-34-22-29(35-30)24-13-11-23(12-14-24)25-8-7-17-33-21-25/h7-8,11-14,17,21-22,27-28H,3-6,9-10,15-16,18-20H2,1-2H3,(H,34,35)(H,36,39)/t27-,28+/m1/s1
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| InChIKey |
DDNWDPJEUUPJGI-IZLXSDGUSA-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