General Information of the Compound
| Compound ID |
CP0541130
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(4-methoxy-phenylcarbamoyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H26N2O7
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| Molecular Weight |
490.512
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| Canonical SMILES |
COc1ccc(NC(=O)N2C[C@H]([C@@H]([C@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)cc1
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| InChI |
InChI=1S/C27H26N2O7/c1-33-19-8-3-16(4-9-19)25-24(26(30)31)21(17-5-12-22-23(13-17)36-15-35-22)14-29(25)27(32)28-18-6-10-20(34-2)11-7-18/h3-13,21,24-25H,14-15H2,1-2H3,(H,28,32)(H,30,31)/t21-,24-,25+/m0/s1
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| InChIKey |
XWSUCRAODWFKKP-GVXSCFBNSA-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