General Information of the Compound
| Compound ID |
CP0566647
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| Compound Name |
(2S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-(1H-indole-3-carbonylamino)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H34N4O4
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| Molecular Weight |
490.604
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| Canonical SMILES |
OC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H34N4O4/c33-26(29-15-12-20-13-16-32(17-14-20)19-21-6-2-1-3-7-21)11-10-25(28(35)36)31-27(34)23-18-30-24-9-5-4-8-22(23)24/h1-9,18,20,25,30H,10-17,19H2,(H,29,33)(H,31,34)(H,35,36)/t25-/m0/s1
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| InChIKey |
OSBMBUVYRFZYLM-VWLOTQADSA-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