General Information of the Compound
| Compound ID |
CP0437106
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| Compound Name |
N-[2-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C26H32N4O5S
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| Molecular Weight |
512.632
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| Canonical SMILES |
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C26H32N4O5S/c27-10-12-34-14-15-35-13-11-28-25(32)21(16-19-6-2-1-3-7-19)30-24(31)18-29-26(33)23-17-20-8-4-5-9-22(20)36-23/h1-9,17,21H,10-16,18,27H2,(H,28,32)(H,29,33)(H,30,31)/t21-/m0/s1
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| InChIKey |
OLRGOBCKJKPSBG-NRFANRHFSA-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