General Information of the Compound
| Compound ID |
CP0401088
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| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-8-fluorochromane-5-carboxylic Acid
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| Structure |
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| Formula |
C25H26F2N2O3
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| Molecular Weight |
440.49
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| Canonical SMILES |
OC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
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| InChI |
InChI=1S/C25H26F2N2O3/c26-16-6-9-23-20(11-16)15(13-28-23)3-2-10-29(17-4-1-5-17)18-12-21-19(25(30)31)7-8-22(27)24(21)32-14-18/h6-9,11,13,17-18,28H,1-5,10,12,14H2,(H,30,31)
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| InChIKey |
SUNHIPUUUZYMRU-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter