General Information of the Compound
| Compound ID |
CP0392962
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| Compound Name |
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-propylcarbamoylmethyl-pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H28N2O6
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| Molecular Weight |
440.496
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| Canonical SMILES |
CCCNC(=O)CN1C[C@H]([C@@H]([C@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H28N2O6/c1-3-10-25-21(27)13-26-12-18(16-6-9-19-20(11-16)32-14-31-19)22(24(28)29)23(26)15-4-7-17(30-2)8-5-15/h4-9,11,18,22-23H,3,10,12-14H2,1-2H3,(H,25,27)(H,28,29)/t18-,22-,23+/m0/s1
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| InChIKey |
AIVZWVQMNJFOIL-OFAXGOBFSA-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01785, Endothelin-1 receptor
Protein ID: PT01372, Endothelin-1 receptor