General Information of the Compound
| Compound ID |
CP0456179
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| Compound Name |
3-{Cyclobutyl[4-(7-fluoro-1H-indol-1-yl)butyl]amino}-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C26H29F2N3O2
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| Molecular Weight |
453.533
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)C1CCC1
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| InChI |
InChI=1S/C26H29F2N3O2/c27-22-8-3-5-17-11-14-30(24(17)22)12-1-2-13-31(18-6-4-7-18)19-15-21-20(26(29)32)9-10-23(28)25(21)33-16-19/h3,5,8-11,14,18-19H,1-2,4,6-7,12-13,15-16H2,(H2,29,32)
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| InChIKey |
PYLFJHQGWYOKKB-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