General Information of the Compound
| Compound ID |
CP0377320
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| Compound Name |
3-(4-{[N-(5-chlorobenzo[b]thiophen-3-carbonyl)-N-(2,2-diphenylethyl)amino]methyl}benzoylamino)propionic acid
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| Structure |
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| Formula |
C33H27ClN2O4S
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| Molecular Weight |
583.109
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C(c2ccccc2)c2ccccc2)C(=O)c2csc3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C33H27ClN2O4S/c34-26-15-16-29-27(19-26)28(21-41-29)33(40)36(31(23-7-3-1-4-8-23)24-9-5-2-6-10-24)20-22-11-13-25(14-12-22)32(39)35-18-17-30(37)38/h1-16,19,21,31H,17-18,20H2,(H,35,39)(H,37,38)
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| InChIKey |
JSDBUVYDNYKWFT-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