General Information of the Compound
| Compound ID |
CP0452736
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| Compound Name |
(S)-N-(5-chlorobenzo[d]oxazol-2-yl)-2-(4-chlorophenyl)-3-methylbutanamide
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| Structure |
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| Formula |
C18H16Cl2N2O2
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| Molecular Weight |
363.244
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| Canonical SMILES |
CC(C)[C@H](C(=O)Nc1nc2cc(Cl)ccc2o1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H16Cl2N2O2/c1-10(2)16(11-3-5-12(19)6-4-11)17(23)22-18-21-14-9-13(20)7-8-15(14)24-18/h3-10,16H,1-2H3,(H,21,22,23)/t16-/m0/s1
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| InChIKey |
BEIGLEPJTIPDQW-INIZCTEOSA-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