General Information of the Compound
| Compound ID |
CP0777387
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| Compound Name |
(S)-2-(2-Benzoyl-cyclohex-1-enylamino)-3-(4-benzyloxy-phenyl)-propionic acid
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| Formula |
C29H29NO4
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| Molecular Weight |
455.554
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| Canonical SMILES |
O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)/N=C1\CCCC\C1=C(\O)c1ccccc1
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| InChI |
InChI=1S/C29H29NO4/c31-28(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30-27(29(32)33)19-21-15-17-24(18-16-21)34-20-22-9-3-1-4-10-22/h1-6,9-12,15-18,27,31H,7-8,13-14,19-20H2,(H,32,33)/b28-25-,30-26+/t27-/m0/s1
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| InChIKey |
JLWWXYDVCIDOCP-ONNODYOZSA-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