General Information of the Compound
| Compound ID |
CP0418500
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| Compound Name |
8-Fluoro-3-[[4-(7-fluoro-1H-indol-1-yl)butyl](propyl)amino]chromane-5-carboxamide
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| Structure |
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| Formula |
C25H29F2N3O2
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| Molecular Weight |
441.522
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| Canonical SMILES |
CCCN(CCCCn1ccc2cccc(F)c12)C1COc2c(F)ccc(C(N)=O)c2C1
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| InChI |
InChI=1S/C25H29F2N3O2/c1-2-11-29(12-3-4-13-30-14-10-17-6-5-7-21(26)23(17)30)18-15-20-19(25(28)31)8-9-22(27)24(20)32-16-18/h5-10,14,18H,2-4,11-13,15-16H2,1H3,(H2,28,31)
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| InChIKey |
BJKBVFNZRMPFPS-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