General Information of the Compound
| Compound ID |
CP0212100
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| Compound Name |
4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]adamantane-1-carboxylic acid
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| Structure |
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| Formula |
C27H31N3O5
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| Molecular Weight |
477.561
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| Canonical SMILES |
OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)Nc1ccccc1)C(C3)C2
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| InChI |
InChI=1S/C27H31N3O5/c31-24(28-10-11-29-26(34)30-21-4-2-1-3-5-21)18-6-8-22(9-7-18)35-23-19-12-17-13-20(23)16-27(14-17,15-19)25(32)33/h1-9,17,19-20,23H,10-16H2,(H,28,31)(H,32,33)(H2,29,30,34)
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| InChIKey |
FFFSXZNDIJPPFO-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