General Information of the Compound
| Compound ID |
CP0466754
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| Compound Name |
3-(2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamido)propanoic acid
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| Structure |
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| Formula |
C29H36N4O5
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| Molecular Weight |
520.63
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCC(O)=O)C2=O)c1ccccc1
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| InChI |
InChI=1S/C29H36N4O5/c1-28(2,3)22-11-9-21(10-12-22)26(37)31-17-14-29(15-18-31)27(38)32(19-24(34)30-16-13-25(35)36)20-33(29)23-7-5-4-6-8-23/h4-12H,13-20H2,1-3H3,(H,30,34)(H,35,36)
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| InChIKey |
OYJRDZNUIOZDQL-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