General Information of the Compound
| Compound ID |
CP0575347
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| Compound Name |
(1S,3S)-3-[4-[4-[[(4-chlorophenyl)methoxycarbonylamino]methyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C26H27ClN2O6
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| Molecular Weight |
498.963
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| Canonical SMILES |
Cc1noc(c1CNC(=O)OCc1ccc(Cl)cc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H27ClN2O6/c1-16-23(14-28-26(32)33-15-17-5-9-20(27)10-6-17)24(35-29-16)18-7-11-21(12-8-18)34-22-4-2-3-19(13-22)25(30)31/h5-12,19,22H,2-4,13-15H2,1H3,(H,28,32)(H,30,31)/t19-,22-/m0/s1
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| InChIKey |
KQABZYOUYWUYDT-UGKGYDQZSA-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