General Information of the Compound
| Compound ID |
CP0689451
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| Compound Name |
{4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantan-1-ylmethoxy}-acetic acid
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| Formula |
C23H30ClNO5
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| Molecular Weight |
435.948
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](COCC(=O)O)(C3)C2
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| InChI |
InChI=1S/C23H30ClNO5/c1-22(2,30-18-5-3-17(24)4-6-18)21(28)25-20-15-7-14-8-16(20)11-23(9-14,10-15)13-29-12-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14?,15?,16?,20-,23-
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| InChIKey |
ONHLADOANHWPPY-LQBDUSRCSA-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