General Information of the Compound
| Compound ID |
CP0399324
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| Compound Name |
(3R)-(-)-N-Cyclobutyl-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxychroman-3-amine
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| Structure |
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| Formula |
C25H29FN2O2
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| Molecular Weight |
408.517
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| Canonical SMILES |
COc1cccc2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
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| InChI |
InChI=1S/C25H29FN2O2/c1-29-24-8-3-9-25-22(24)14-20(16-30-25)28(19-6-2-7-19)12-4-5-17-15-27-23-11-10-18(26)13-21(17)23/h3,8-11,13,15,19-20,27H,2,4-7,12,14,16H2,1H3/t20-/m1/s1
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| InChIKey |
JBNQPDCVQXSXPZ-HXUWFJFHSA-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