General Information of the Compound
| Compound ID |
CP0525699
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| Compound Name |
N-[1-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C30H38N4O5S
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| Molecular Weight |
566.724
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| Canonical SMILES |
NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C30H38N4O5S/c31-14-16-38-18-19-39-17-15-32-27(35)24(20-22-8-2-1-3-9-22)33-29(37)30(12-6-7-13-30)34-28(36)26-21-23-10-4-5-11-25(23)40-26/h1-5,8-11,21,24H,6-7,12-20,31H2,(H,32,35)(H,33,37)(H,34,36)/t24-/m0/s1
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| InChIKey |
DNBZJTODOYTAQZ-DEOSSOPVSA-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