General Information of the Compound
| Compound ID |
CP0844290
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| Compound Name |
(3R,4R)-6-Fluoro-3-(4-fluoropiperidin-3-yl)-1H-indole-2-carboxylic Acid Methyl Ester
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| Structure |
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| Formula |
C15H16F2N2O2
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| Molecular Weight |
294.301
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| Canonical SMILES |
COC(=O)c1[nH]c2cc(F)ccc2c1[C@@H]1CNCC[C@H]1F
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| InChI |
InChI=1S/C15H16F2N2O2/c1-21-15(20)14-13(10-7-18-5-4-11(10)17)9-3-2-8(16)6-12(9)19-14/h2-3,6,10-11,18-19H,4-5,7H2,1H3/t10-,11-/m1/s1
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| InChIKey |
CJPSOUOLAPMNQT-GHMZBOCLSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2