General Information of the Compound
| Compound ID |
CP0877958
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| Compound Name |
2-[(5-Bromo-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
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| Structure |
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| Formula |
C21H16BrCl2NO3S
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| Molecular Weight |
513.24
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| Canonical SMILES |
O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H16BrCl2NO3S/c22-19-9-7-15(29-19)12-25(20(26)16-8-6-14(23)11-17(16)24)18(21(27)28)10-13-4-2-1-3-5-13/h1-9,11,18H,10,12H2,(H,27,28)/t18-/m0/s1
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| InChIKey |
IUZFULCSXKIQNJ-SFHVURJKSA-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