General Information of the Compound
| Compound ID |
CP0424339
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| Compound Name |
N-[2-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]-1-benzothiophene-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(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C34H38N4O5S/c35-14-16-42-18-19-43-17-15-36-31(39)28(20-24-8-2-1-3-9-24)37-33(41)34(22-26-11-4-5-12-27(26)23-34)38-32(40)30-21-25-10-6-7-13-29(25)44-30/h1-13,21,28H,14-20,22-23,35H2,(H,36,39)(H,37,41)(H,38,40)/t28-/m0/s1
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| InChIKey |
GMWHYDAZOMZFAJ-NDEPHWFRSA-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