General Information of the Compound
| Compound ID |
CP0570249
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| Compound Name |
(2S)-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-propan-2-yl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C34H47N5O3
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| Molecular Weight |
573.782
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC1)C(C)C)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC
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| InChI |
InChI=1S/C34H47N5O3/c1-6-25(40)10-8-7-9-11-28(38-33(41)27-20-34(27)14-16-39(17-15-34)22(2)3)32-35-21-30(37-32)26-18-24-13-12-23(4)36-29(24)19-31(26)42-5/h12-13,18-19,21-22,27-28H,6-11,14-17,20H2,1-5H3,(H,35,37)(H,38,41)/t27-,28+/m1/s1
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| InChIKey |
RUBVTFQFJUWMIM-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