General Information of the Compound
| Compound ID |
CP0491266
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| Compound Name |
(S)-3-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-4-methylpiperidine-1-carbonyl)-2,4-dimethylpyridine 1-oxide
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| Structure |
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| Formula |
C32H50N4O5
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| Molecular Weight |
570.775
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C
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| InChI |
InChI=1S/C32H50N4O5/c1-5-6-7-27-23-34(22-26-9-20-40-21-10-26)30(38)41-32(27)13-18-35(19-14-32)31(4)11-16-33(17-12-31)29(37)28-24(2)8-15-36(39)25(28)3/h8,15,26-27H,5-7,9-14,16-23H2,1-4H3/t27-/m0/s1
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| InChIKey |
SISLVQRDZSMKIB-MHZLTWQESA-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