General Information of the Compound
| Compound ID |
CP0558136
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| Compound Name |
(2S)-N-[(1R)-2-(azetidin-3-ylmethylamino)-1-[4-(2-methylpentoxy)phenyl]-2-oxoethyl]-2-phenylpropanamide
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)NCC1CNC1
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| InChI |
InChI=1S/C27H37N3O3/c1-4-8-19(2)18-33-24-13-11-23(12-14-24)25(27(32)29-17-21-15-28-16-21)30-26(31)20(3)22-9-6-5-7-10-22/h5-7,9-14,19-21,25,28H,4,8,15-18H2,1-3H3,(H,29,32)(H,30,31)/t19?,20-,25+/m0/s1
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| InChIKey |
GGBUXQORVSTZEI-XGMIRAJKSA-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