General Information of the Compound
| Compound ID |
CP0407642
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| Compound Name |
2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
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| Structure |
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| Formula |
C37H50N4O4
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| Molecular Weight |
614.831
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| Canonical SMILES |
CC1(C)CC(CC(C)(C)N1)OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C37H50N4O4/c1-35(2)23-31(24-36(3,4)38-35)45-32(42)25-40-26-41(30-13-9-6-10-14-30)37(34(40)44)19-21-39(22-20-37)33(43)29-17-15-28(16-18-29)27-11-7-5-8-12-27/h6,9-10,13-18,27,31,38H,5,7-8,11-12,19-26H2,1-4H3
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| InChIKey |
GGPSXLGYSJTGMV-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