General Information of the Compound
| Compound ID |
CP0359230
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| Compound Name |
(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-methoxy-phenyl)-1-{2-[(3-methyl-butane-1-sulfonyl)-propyl-amino]-ethyl}-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C29H39FN2O7S
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| Molecular Weight |
578.703
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| Canonical SMILES |
CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CCC(C)C
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| InChI |
InChI=1S/C29H39FN2O7S/c1-5-11-32(40(35,36)14-10-19(2)3)13-12-31-17-22(20-6-9-25-26(16-20)39-18-38-25)27(29(33)34)28(31)21-7-8-24(37-4)23(30)15-21/h6-9,15-16,19,22,27-28H,5,10-14,17-18H2,1-4H3,(H,33,34)/t22-,27-,28+/m1/s1
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| InChIKey |
UPGYMGTUYVNKAQ-OFEZKSIWSA-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