General Information of the Compound
| Compound ID |
CP0570394
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| Compound Name |
(2S)-N-[(1S)-1-[5-(2-cyclopropylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C33H43N5O2
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| Molecular Weight |
541.74
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)C1CC1
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| InChI |
InChI=1S/C33H43N5O2/c1-3-25(39)7-5-4-6-8-29(37-32(40)26-20-33(26)15-17-38(2)18-16-33)31-34-21-30(36-31)24-12-14-28-23(19-24)11-13-27(35-28)22-9-10-22/h11-14,19,21-22,26,29H,3-10,15-18,20H2,1-2H3,(H,34,36)(H,37,40)/t26-,29+/m1/s1
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| InChIKey |
MGZXYPCLDJVRER-UHSQPCAPSA-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