General Information of the Compound
| Compound ID |
CP0376225
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| Compound Name |
(3R)-8-fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl]amino}chromane-5-carboxamide
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| Structure |
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| Formula |
C21H21F2N3O2
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| Molecular Weight |
385.414
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1
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| InChIKey |
AWSJZZTVSOPOLT-CQSZACIVSA-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