General Information of the Compound
| Compound ID |
CP0101988
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| Compound Name |
(RS)-2-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-(naphthalen-2-yl)propan-2-ylamino]propoxy}methyl)benzoic acid
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1C(O)=O
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| InChI |
InChI=1S/C28H33NO4/c1-28(2,16-19-11-12-20-7-3-4-8-22(20)15-19)29-17-23(30)18-33-26(21-13-14-21)24-9-5-6-10-25(24)27(31)32/h3-12,15,21,23,26,29-30H,13-14,16-18H2,1-2H3,(H,31,32)/t23-,26?/m1/s1
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| InChIKey |
XANOFYBHZAZXBD-GEPVFLLWSA-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