General Information of the Compound
| Compound ID |
CP0101359
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| Compound Name |
4-[4-[3-[(4-phenylbenzoyl)amino]propylcarbamoyl]phenoxy]adamantane-1-carboxylic acid
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| Structure |
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| Formula |
C34H36N2O5
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| Molecular Weight |
552.671
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| Canonical SMILES |
OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2
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| InChI |
InChI=1S/C34H36N2O5/c37-31(25-9-7-24(8-10-25)23-5-2-1-3-6-23)35-15-4-16-36-32(38)26-11-13-29(14-12-26)41-30-27-17-22-18-28(30)21-34(19-22,20-27)33(39)40/h1-3,5-14,22,27-28,30H,4,15-21H2,(H,35,37)(H,36,38)(H,39,40)
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| InChIKey |
JHDIYLMIOGQUPZ-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