General Information of the Compound
| Compound ID |
CP0570395
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| Compound Name |
(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C31H39FN4O3
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| Molecular Weight |
534.676
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1F
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| InChI |
InChI=1S/C31H39FN4O3/c1-4-22(37)8-6-5-7-9-26(35-29(38)24-18-31(24)12-14-36(3)15-13-31)30-33-19-28(39-30)23-16-21-11-10-20(2)34-27(21)17-25(23)32/h10-11,16-17,19,24,26H,4-9,12-15,18H2,1-3H3,(H,35,38)/t24-,26+/m1/s1
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| InChIKey |
OTDRPXYPNVACGD-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