General Information of the Compound
| Compound ID |
CP0568320
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| Compound Name |
(2S)-N-[(1S)-1-[5-(7-ethyl-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C33H45N5O2
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| Molecular Weight |
543.756
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1CC
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| InChI |
InChI=1S/C33H45N5O2/c1-5-23-19-29-24(13-12-22(3)35-29)18-26(23)30-21-34-31(36-30)28(11-9-7-8-10-25(39)6-2)37-32(40)27-20-33(27)14-16-38(4)17-15-33/h12-13,18-19,21,27-28H,5-11,14-17,20H2,1-4H3,(H,34,36)(H,37,40)/t27-,28+/m1/s1
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| InChIKey |
MZCMRPRNHRPNAJ-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