General Information of the Compound
| Compound ID |
CP0533357
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| Compound Name |
5-butyl-9-(1-(2,6-dimethylbenzoyl)piperidin-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 |
C32H49N3O4
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| Molecular Weight |
539.761
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| Canonical SMILES |
CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C32H49N3O4/c1-4-5-9-27-23-35(22-26-12-20-38-21-13-26)31(37)39-32(27)14-18-33(19-15-32)28-10-16-34(17-11-28)30(36)29-24(2)7-6-8-25(29)3/h6-8,26-28H,4-5,9-23H2,1-3H3
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| InChIKey |
BBKNZDXWDHCIOQ-UHFFFAOYSA-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