General Information of the Compound
| Compound ID |
CP0522553
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| Compound Name |
ethyl 2-[1-benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-3-(4-chlorophenyl)propanoate
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| Structure |
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| Formula |
C28H30ClNO5S
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| Molecular Weight |
528.07
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| Canonical SMILES |
CCOC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C28H30ClNO5S/c1-2-33-27(32)24(17-19-7-9-20(29)10-8-19)30(21-11-13-28(14-12-21)34-15-16-35-28)26(31)23-18-36-25-6-4-3-5-22(23)25/h3-10,18,21,24H,2,11-17H2,1H3
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| InChIKey |
UFSPRXVHSTVBSG-UHFFFAOYSA-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