General Information of the Compound
| Compound ID |
CP0441439
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| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-8-fluoro-N-isopropylchromane-5-carboxamide
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| Structure |
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| Formula |
C28H33F2N3O2
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| Molecular Weight |
481.587
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
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| InChI |
InChI=1S/C28H33F2N3O2/c1-17(2)32-28(34)22-9-10-25(30)27-24(22)14-21(16-35-27)33(20-6-3-7-20)12-4-5-18-15-31-26-11-8-19(29)13-23(18)26/h8-11,13,15,17,20-21,31H,3-7,12,14,16H2,1-2H3,(H,32,34)
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| InChIKey |
VLMQEJQNJJVDFP-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