General Information of the Compound
| Compound ID |
CP0380409
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(2-dipropylcarbamoyl-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H36N2O6
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| Molecular Weight |
496.604
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| Canonical SMILES |
CCCN(CCC)C(=O)CCN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H36N2O6/c1-4-13-29(14-5-2)25(31)12-15-30-17-22(20-8-11-23-24(16-20)36-18-35-23)26(28(32)33)27(30)19-6-9-21(34-3)10-7-19/h6-11,16,22,26-27H,4-5,12-15,17-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1
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| InChIKey |
MKPFPHYZZBVPHL-WDDWZANVSA-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