General Information of the Compound
| Compound ID |
CP0216973
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| Compound Name |
hexyl (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 |
C34H46N4O4
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| Molecular Weight |
574.766
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| Canonical SMILES |
CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C34H46N4O4/c1-2-3-4-10-23-42-34(41)31(37-33(40)29-24-36-30-14-9-8-13-28(29)30)15-16-32(39)35-20-17-26-18-21-38(22-19-26)25-27-11-6-5-7-12-27/h5-9,11-14,24,26,31,36H,2-4,10,15-23,25H2,1H3,(H,35,39)(H,37,40)/t31-/m0/s1
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| InChIKey |
MLLNAYHUDYUGTJ-HKBQPEDESA-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