General Information of the Compound
| Compound ID |
CP0470093
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| Compound Name |
2-[5-[4-[2-(naphthalene-2-carbonylamino)ethylcarbamoyl]phenoxy]-2-adamantyl]acetic acid
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| Structure |
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| Formula |
C32H34N2O5
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| Molecular Weight |
526.633
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| Canonical SMILES |
OC(=O)CC1C2CC3CC1CC(C3)(C2)Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H34N2O5/c35-29(36)16-28-25-13-20-14-26(28)19-32(17-20,18-25)39-27-9-7-22(8-10-27)30(37)33-11-12-34-31(38)24-6-5-21-3-1-2-4-23(21)15-24/h1-10,15,20,25-26,28H,11-14,16-19H2,(H,33,37)(H,34,38)(H,35,36)
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| InChIKey |
VQKUNGNAWOVCCL-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