General Information of the Compound
| Compound ID |
CP0164809
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(pentane-1-sulfonyl)-propyl-amino]-ethyl}-2-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H44N2O7S
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| Molecular Weight |
588.767
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| Canonical SMILES |
CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C31H44N2O7S/c1-4-7-8-19-41(36,37)33(15-5-2)17-16-32-21-26(24-11-14-27-28(20-24)40-22-39-27)29(31(34)35)30(32)23-9-12-25(13-10-23)38-18-6-3/h9-14,20,26,29-30H,4-8,15-19,21-22H2,1-3H3,(H,34,35)/t26-,29-,30+/m1/s1
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| InChIKey |
DPADGXFJBCNLKG-XUEBXJBISA-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