General Information of the Compound
| Compound ID |
CP0381740
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| Compound Name |
(3R)-8-fluoro-3-[[3-(5-fluoro-1H-indol-3-yl)propyl](methyl)amino]chromane-5-carboxamide
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| Structure |
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| Formula |
C22H23F2N3O2
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| Molecular Weight |
399.441
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| Canonical SMILES |
CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
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| InChI |
InChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1
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| InChIKey |
YSOCJLRWGGPWKP-OAHLLOKOSA-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