General Information of the Compound
| Compound ID |
CP0522402
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| Compound Name |
N-[3-[[(2S)-1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pentan-3-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C30H40N4O5S
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| Molecular Weight |
568.74
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| Canonical SMILES |
CCC(CC)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN
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| InChI |
InChI=1S/C30H40N4O5S/c1-3-30(4-2,34-28(36)26-21-23-12-8-9-13-25(23)40-26)29(37)33-24(20-22-10-6-5-7-11-22)27(35)32-15-17-39-19-18-38-16-14-31/h5-13,21,24H,3-4,14-20,31H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t24-/m0/s1
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| InChIKey |
YIQDAIQRXPGNED-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