General Information of the Compound
| Compound ID |
CP0261961
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| Compound Name |
2-[2-(naphthalene-1-carbonyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
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| Structure |
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| Formula |
C25H19F3N2O3
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| Molecular Weight |
452.432
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| Canonical SMILES |
OC(=O)Cn1c2CCN(Cc2c2cc(ccc12)C(F)(F)F)C(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H19F3N2O3/c26-25(27,28)16-8-9-21-19(12-16)20-13-29(11-10-22(20)30(21)14-23(31)32)24(33)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,31,32)
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| InChIKey |
DFVBLFJUHBOAGA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT01819, Thromboxane A2 receptor