General Information of the Compound
| Compound ID |
CP0460818
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(diisobutylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H38N2O6
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| Molecular Weight |
510.631
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CC(C)C)CC(C)C)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C29H38N2O6/c1-18(2)13-30(14-19(3)4)26(32)16-31-15-23(21-8-11-24-25(12-21)37-17-36-24)27(29(33)34)28(31)20-6-9-22(35-5)10-7-20/h6-12,18-19,23,27-28H,13-17H2,1-5H3,(H,33,34)/t23-,27-,28+/m0/s1
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| InChIKey |
VTCRAOPUDXFWQI-MXSCXNJPSA-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