General Information of the Compound
| Compound ID |
CP0228399
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| Compound Name |
(S)-N-(4-bromophenyl)-2-(3-methoxyphenylamino)propanamide
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| Structure |
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| Formula |
C16H17BrN2O2
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| Molecular Weight |
349.228
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| Canonical SMILES |
COc1cccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1
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| InChI |
InChI=1S/C16H17BrN2O2/c1-11(18-14-4-3-5-15(10-14)21-2)16(20)19-13-8-6-12(17)7-9-13/h3-11,18H,1-2H3,(H,19,20)/t11-/m0/s1
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| InChIKey |
QRLXZUDKOHOQGR-NSHDSACASA-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