General Information of the Compound
| Compound ID |
CP0241603
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(4-chloro-benzenesulfonyl)-propyl-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C30H33ClN2O7S
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| Molecular Weight |
601.121
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| Canonical SMILES |
CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H33ClN2O7S/c1-3-14-33(41(36,37)24-11-7-22(31)8-12-24)16-15-32-18-25(21-6-13-26-27(17-21)40-19-39-26)28(30(34)35)29(32)20-4-9-23(38-2)10-5-20/h4-13,17,25,28-29H,3,14-16,18-19H2,1-2H3,(H,34,35)/t25-,28-,29+/m1/s1
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| InChIKey |
XUIJEMYAUJYNJA-ZJGIAAPESA-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