General Information of the Compound
| Compound ID |
CP0354462
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| Compound Name |
ethyl (2S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-(1H-indole-3-carbonylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C30H38N4O4
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| Molecular Weight |
518.658
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| Canonical SMILES |
CCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C30H38N4O4/c1-2-38-30(37)27(33-29(36)25-20-32-26-11-7-6-10-24(25)26)12-13-28(35)31-17-14-22-15-18-34(19-16-22)21-23-8-4-3-5-9-23/h3-11,20,22,27,32H,2,12-19,21H2,1H3,(H,31,35)(H,33,36)/t27-/m0/s1
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| InChIKey |
FBUMKRRRONRQCL-MHZLTWQESA-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