General Information of the Compound
| Compound ID |
CP0832315
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| Compound Name |
(S)-6-methyl-N-((S)-1-(5-(2-methyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl)-7-oxononyl)-6-azaspiro[2.5]octane-1-carboxamide
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| Structure |
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| Formula |
C31H41N5O3
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| Molecular Weight |
531.701
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(=O)n(C)ccc3c2)[nH]1
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| InChI |
InChI=1S/C31H41N5O3/c1-4-23(37)8-6-5-7-9-26(34-29(38)25-19-31(25)13-16-35(2)17-14-31)28-32-20-27(33-28)22-10-11-24-21(18-22)12-15-36(3)30(24)39/h10-12,15,18,20,25-26H,4-9,13-14,16-17,19H2,1-3H3,(H,32,33)(H,34,38)/t25-,26+/m1/s1
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| InChIKey |
HRMSPADHUDDHPW-FTJBHMTQSA-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