General Information of the Compound
| Compound ID |
CP0434736
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| Compound Name |
N-cyclobutyl-3-[cyclobutyl-[3-(5-fluoro-1H-indol-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
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| Structure |
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| Formula |
C29H33F2N3O2
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| Molecular Weight |
493.598
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCC5)c4C3)c2c1
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| InChI |
InChI=1S/C29H33F2N3O2/c30-19-9-12-27-24(14-19)18(16-32-27)4-3-13-34(21-7-2-8-21)22-15-25-23(29(35)33-20-5-1-6-20)10-11-26(31)28(25)36-17-22/h9-12,14,16,20-22,32H,1-8,13,15,17H2,(H,33,35)
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| InChIKey |
OXCODUCJRWQMNC-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