General Information of the Compound
| Compound ID |
CP0964128
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| Compound Name |
(S)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C18H15ClF3NO5
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| Molecular Weight |
417.767
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| Canonical SMILES |
O=C(N[C@@H](CO)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C18H15ClF3NO5/c19-13-7-12(18(20,21)22)4-5-15(13)28-9-10-2-1-3-11(6-10)16(25)23-14(8-24)17(26)27/h1-7,14,24H,8-9H2,(H,23,25)(H,26,27)/t14-/m0/s1
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| InChIKey |
LNERQUMZXIEUHP-AWEZNQCLSA-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