General Information of the Compound
| Compound ID |
CP0424386
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| Compound Name |
methyl 3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxylate
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| Structure |
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| Formula |
C26H28F2N2O3
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| Molecular Weight |
454.517
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| Canonical SMILES |
COC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
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| InChI |
InChI=1S/C26H28F2N2O3/c1-32-26(31)20-8-9-23(28)25-22(20)13-19(15-33-25)30(18-5-2-6-18)11-3-4-16-14-29-24-10-7-17(27)12-21(16)24/h7-10,12,14,18-19,29H,2-6,11,13,15H2,1H3
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| InChIKey |
JFVMDYGLVSOAPL-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