General Information of the Compound
| Compound ID |
CP0426090
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| Compound Name |
(2R)-2-hydroxy-2-[(2R)-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]pyrrolidin-2-yl]acetic acid
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| Structure |
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| Formula |
C30H35NO7
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| Molecular Weight |
521.61
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| Canonical SMILES |
COc1ccc(cc1)C(OCCN1CCC[C@@H]1[C@@H](O)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H35NO7/c1-35-24-12-6-21(7-13-24)30(22-8-14-25(36-2)15-9-22,23-10-16-26(37-3)17-11-23)38-20-19-31-18-4-5-27(31)28(32)29(33)34/h6-17,27-28,32H,4-5,18-20H2,1-3H3,(H,33,34)/t27-,28-/m1/s1
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| InChIKey |
PONNCRQNJCYCMA-VSGBNLITSA-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3