General Information of the Compound
| Compound ID |
CP0568319
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| Compound Name |
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(2-pyrazol-1-ylquinolin-6-yl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C33H41N7O2
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| Molecular Weight |
567.738
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(ccc2c1)-n1cccn1
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| InChI |
InChI=1S/C33H41N7O2/c1-3-25(41)8-5-4-6-9-28(38-32(42)26-21-33(26)14-18-39(2)19-15-33)31-34-22-29(37-31)24-10-12-27-23(20-24)11-13-30(36-27)40-17-7-16-35-40/h7,10-13,16-17,20,22,26,28H,3-6,8-9,14-15,18-19,21H2,1-2H3,(H,34,37)(H,38,42)/t26-,28+/m1/s1
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| InChIKey |
LGSKPPYSKWOZRH-IAPPQJPRSA-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