General Information of the Compound
| Compound ID |
CP0538552
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| Compound Name |
(S)-5-butyl-9-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-carbonyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
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| Structure |
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| Formula |
C32H49N3O6
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| Molecular Weight |
571.759
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(=O)oc1C
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| InChI |
InChI=1S/C32H49N3O6/c1-5-6-7-26-22-34(21-25-8-18-39-19-9-25)30(38)41-32(26)12-16-35(17-13-32)31(4)10-14-33(15-11-31)29(37)28-23(2)20-27(36)40-24(28)3/h20,25-26H,5-19,21-22H2,1-4H3/t26-/m0/s1
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| InChIKey |
UOIXIUCTWQNZPK-SANMLTNESA-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