General Information of the Compound
| Compound ID |
CP0147983
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-{2-[methyl-(propane-1-sulfonyl)-amino]-ethyl}-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H32N2O7S
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| Molecular Weight |
504.605
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| Canonical SMILES |
CCCS(=O)(=O)N(C)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H32N2O7S/c1-4-13-35(30,31)26(2)11-12-27-15-20(18-7-10-21-22(14-18)34-16-33-21)23(25(28)29)24(27)17-5-8-19(32-3)9-6-17/h5-10,14,20,23-24H,4,11-13,15-16H2,1-3H3,(H,28,29)/t20-,23-,24+/m1/s1
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| InChIKey |
NGNWEUHXBRIURS-HUVFLSCGSA-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