General Information of the Compound
| Compound ID |
CP0511476
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| Compound Name |
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide
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| Structure |
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| Formula |
C28H41N3O2
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| Molecular Weight |
451.655
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C28H41N3O2/c1-5-9-22(2)21-33-26-14-12-25(13-15-26)27(20-31-18-16-30(4)17-19-31)29-28(32)23(3)24-10-7-6-8-11-24/h6-8,10-15,22-23,27H,5,9,16-21H2,1-4H3,(H,29,32)/t22?,23-,27-/m0/s1
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| InChIKey |
WTGULUMCDDORRO-NKHIZBSDSA-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