General Information of the Compound
| Compound ID |
CP0568325
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| Compound Name |
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylindazol-5-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C29H40N6O2
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| Molecular Weight |
504.679
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nn(C)cc2c1
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| InChI |
InChI=1S/C29H40N6O2/c1-4-22(36)8-6-5-7-9-25(32-28(37)23-17-29(23)12-14-34(2)15-13-29)27-30-18-26(31-27)20-10-11-24-21(16-20)19-35(3)33-24/h10-11,16,18-19,23,25H,4-9,12-15,17H2,1-3H3,(H,30,31)(H,32,37)/t23-,25+/m1/s1
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| InChIKey |
GSBGMIOHBWZCMF-NOZRDPDXSA-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