General Information of the Compound
| Compound ID |
CP0421633
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| Compound Name |
(S)-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
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| Structure |
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| Formula |
C17H18ClNO
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| Molecular Weight |
287.79
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| Canonical SMILES |
CC(C)[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H18ClNO/c1-12(2)16(13-8-10-14(18)11-9-13)17(20)19-15-6-4-3-5-7-15/h3-12,16H,1-2H3,(H,19,20)/t16-/m0/s1
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| InChIKey |
QTHCQXNZIYLWFK-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