General Information of the Compound
| Compound ID |
CP0534669
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| Compound Name |
(S)-2-((4R,5R)-5-(biphenyl-2-ylcarbamoyl)-1,3-dioxolane-4-carboxamido)-3-(4-(2-methoxybenzamido)phenyl)propanoic acid
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| Structure |
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| Formula |
C34H31N3O8
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| Molecular Weight |
609.635
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2OCO[C@H]2C(=O)Nc2ccccc2-c2ccccc2)C(O)=O)cc1
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| InChI |
InChI=1S/C34H31N3O8/c1-43-28-14-8-6-12-25(28)31(38)35-23-17-15-21(16-18-23)19-27(34(41)42)37-33(40)30-29(44-20-45-30)32(39)36-26-13-7-5-11-24(26)22-9-3-2-4-10-22/h2-18,27,29-30H,19-20H2,1H3,(H,35,38)(H,36,39)(H,37,40)(H,41,42)/t27-,29+,30+/m0/s1
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| InChIKey |
SGPXWAKMCMPTSL-GNSPLJBXSA-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