General Information of the Compound
| Compound ID |
CP0577128
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| Compound Name |
(2S)-6-methyl-N-[(1S)-1-[5-[2-(1,3-oxazol-2-yl)quinolin-6-yl]-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C33H40N6O3
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| Molecular Weight |
568.722
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)-c1ncco1
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| InChI |
InChI=1S/C33H40N6O3/c1-3-24(40)7-5-4-6-8-27(38-31(41)25-20-33(25)13-16-39(2)17-14-33)30-35-21-29(37-30)23-9-11-26-22(19-23)10-12-28(36-26)32-34-15-18-42-32/h9-12,15,18-19,21,25,27H,3-8,13-14,16-17,20H2,1-2H3,(H,35,37)(H,38,41)/t25-,27+/m1/s1
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| InChIKey |
DEPGTCNZKXMKRK-VPUSJEBWSA-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