General Information of the Compound
| Compound ID |
CP0199053
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| Compound Name |
2-(2-benzoyl-8-methoxy-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
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| Structure |
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| Formula |
C21H20N2O4
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| Molecular Weight |
364.401
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| Canonical SMILES |
COc1ccc2n(CC(O)=O)c3CCN(Cc3c2c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20N2O4/c1-27-15-7-8-18-16(11-15)17-12-22(21(26)14-5-3-2-4-6-14)10-9-19(17)23(18)13-20(24)25/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)
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| InChIKey |
JCYDUAGFTWKEMN-UHFFFAOYSA-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: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01819, Thromboxane A2 receptor