General Information of the Compound
| Compound ID |
CP0345828
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-{2-[(pentane-1-sulfonyl)-propyl-amino]-ethyl}-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H40N2O7S
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| Molecular Weight |
560.713
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| Canonical SMILES |
CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C29H40N2O7S/c1-4-6-7-17-39(34,35)31(14-5-2)16-15-30-19-24(22-10-13-25-26(18-22)38-20-37-25)27(29(32)33)28(30)21-8-11-23(36-3)12-9-21/h8-13,18,24,27-28H,4-7,14-17,19-20H2,1-3H3,(H,32,33)/t24-,27-,28+/m1/s1
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| InChIKey |
SFLMBOKRIGVPNI-RTVRTQBESA-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