General Information of the Compound
| Compound ID |
CP0878444
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| Compound Name |
N-(2-((1-(2-(2-(2-aminoethoxy)ethoxy)ethylamino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl)benzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C35H40N4O5S
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| Molecular Weight |
628.795
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| Canonical SMILES |
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1
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| InChI |
InChI=1S/C35H40N4O5S/c36-16-18-43-20-21-44-19-17-37-32(40)29(22-25-8-2-1-3-9-25)38-34(42)35(15-14-26-10-4-5-12-28(26)24-35)39-33(41)31-23-27-11-6-7-13-30(27)45-31/h1-13,23,29H,14-22,24,36H2,(H,37,40)(H,38,42)(H,39,41)/t29-,35?/m0/s1
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| InChIKey |
WQLGWARXJRJOIZ-SZVSUXHCSA-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