General Information of the Compound
| Compound ID |
CP0873446
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| Compound Name |
N-(1-((1-(2-(2-(2-aminoethoxy)ethoxy)ethylamino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)-2,3-dihydro-1H-inden-1-yl)benzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C34H38N4O5S
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| Molecular Weight |
614.768
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| Canonical SMILES |
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21
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| InChI |
InChI=1S/C34H38N4O5S/c35-16-18-42-20-21-43-19-17-36-31(39)28(22-24-8-2-1-3-9-24)37-33(41)34(15-14-25-10-4-6-12-27(25)34)38-32(40)30-23-26-11-5-7-13-29(26)44-30/h1-13,23,28H,14-22,35H2,(H,36,39)(H,37,41)(H,38,40)/t28-,34?/m0/s1
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| InChIKey |
OLKKHIHOJAUDLW-GZMKETDRSA-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