General Information of the Compound
| Compound ID |
CP0846029
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| Compound Name |
(-)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}chromane-
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| Structure |
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| Formula |
C25H29ClFN3O2
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| Molecular Weight |
457.977
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| Canonical SMILES |
Cl.NC(=O)c1cccc2c1CC(N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2
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| InChI |
InChI=1S/C25H28FN3O2.ClH/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19;/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30);1H
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| InChIKey |
KKUVTOCRJBPIDY-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