General Information of the Compound
| Compound ID |
CP0452102
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| Compound Name |
5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)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 |
C30H47N5O4
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| Molecular Weight |
541.737
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| Canonical SMILES |
CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C30H47N5O4/c1-4-5-6-25-20-35(19-24-9-17-38-18-10-24)29(37)39-30(25)11-15-33(16-12-30)26-7-13-34(14-8-26)28(36)27-22(2)31-21-32-23(27)3/h21,24-26H,4-20H2,1-3H3
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| InChIKey |
BAXFHZTZXORGEP-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