General Information of the Compound
| Compound ID |
CP0467688
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| Compound Name |
tert-butyl 4-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-4-phenylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C31H42N4O3
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| Molecular Weight |
518.702
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H42N4O3/c1-29(2,3)38-28(37)34-22-15-30(16-23-34,25-10-6-4-7-11-25)14-19-33-20-17-31(18-21-33)27(36)32-24-35(31)26-12-8-5-9-13-26/h4-13H,14-24H2,1-3H3,(H,32,36)
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| InChIKey |
UWHMFSYTOPGDTM-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