General Information of the Compound
| Compound ID |
CP0424389
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| Compound Name |
(3R)-(-)-8-Fluoro-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-N-propylchroman-3-amine
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| Structure |
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| Formula |
C24H28F2N2O2
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| Molecular Weight |
414.496
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| Canonical SMILES |
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1
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| InChI |
InChI=1S/C24H28F2N2O2/c1-3-10-28(11-4-5-16-14-27-22-8-6-17(25)12-19(16)22)18-13-20-23(29-2)9-7-21(26)24(20)30-15-18/h6-9,12,14,18,27H,3-5,10-11,13,15H2,1-2H3/t18-/m1/s1
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| InChIKey |
JEIPZRACKXFYIK-GOSISDBHSA-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