General Information of the Compound
| Compound ID |
CP0572976
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| Compound Name |
(2S)-N-[(1R)-2-(methylamino)-1-[4-(2-methylpentoxy)phenyl]-2-oxoethyl]-2-phenylpropanamide
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| Formula |
C24H32N2O3
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| Molecular Weight |
396.531
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)NC
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| InChI |
InChI=1S/C24H32N2O3/c1-5-9-17(2)16-29-21-14-12-20(13-15-21)22(24(28)25-4)26-23(27)18(3)19-10-7-6-8-11-19/h6-8,10-15,17-18,22H,5,9,16H2,1-4H3,(H,25,28)(H,26,27)/t17?,18-,22+/m0/s1
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| InChIKey |
KHTJQUVYQMBZEA-RXJZEZJSSA-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