General Information of the Compound
| Compound ID |
CP0436565
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-{[(2,2-dimethyl-propyl)-methyl-carbamoyl]-methyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H34N2O6
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| Molecular Weight |
482.577
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(C)CC(C)(C)C)c1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H34N2O6/c1-27(2,3)15-28(4)23(30)14-29-13-20(18-8-11-21-22(12-18)35-16-34-21)24(26(31)32)25(29)17-6-9-19(33-5)10-7-17/h6-12,20,24-25H,13-16H2,1-5H3,(H,31,32)/t20-,24-,25+/m0/s1
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| InChIKey |
HKFUBVWJLXAVLN-KSNOWIBYSA-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