General Information of the Compound
| Compound ID |
CP0957302
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| Compound Name |
(S)-2-[(3-Bromo-benzyl)-(2-chloro-benzoyl)-amino]-3-phenyl-propionic acid
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| Structure |
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| Formula |
C23H19BrClNO3
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| Molecular Weight |
472.766
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| Canonical SMILES |
O=C(O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C23H19BrClNO3/c24-18-10-6-9-17(13-18)15-26(22(27)19-11-4-5-12-20(19)25)21(23(28)29)14-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,28,29)/t21-/m0/s1
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| InChIKey |
LTYXEXVNWGIXBV-NRFANRHFSA-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