General Information of the Compound
| Compound ID |
CP0231488
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| Compound Name |
2-[5-[4-[2-[(4-phenylbenzoyl)amino]ethylcarbamoyl]phenoxy]-2-adamantyl]acetic 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)CC1C2CC3CC1CC(C3)(C2)Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C34H36N2O5/c37-31(38)18-30-27-16-22-17-28(30)21-34(19-22,20-27)41-29-12-10-26(11-13-29)33(40)36-15-14-35-32(39)25-8-6-24(7-9-25)23-4-2-1-3-5-23/h1-13,22,27-28,30H,14-21H2,(H,35,39)(H,36,40)(H,37,38)
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| InChIKey |
HDBLIXDLHGSTFE-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