General Information of the Compound
| Compound ID |
CP0401086
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| Compound Name |
3-{Cyclobutyl[3-(7-methoxy-1H-indol-3-yl)propyl]amino}-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C26H30FN3O3
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| Molecular Weight |
451.542
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| Canonical SMILES |
COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12
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| InChI |
InChI=1S/C26H30FN3O3/c1-32-23-9-3-8-19-16(14-29-24(19)23)5-4-12-30(17-6-2-7-17)18-13-21-20(26(28)31)10-11-22(27)25(21)33-15-18/h3,8-11,14,17-18,29H,2,4-7,12-13,15H2,1H3,(H2,28,31)
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| InChIKey |
RSLKSFZREXEPHC-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