General Information of the Compound
| Compound ID |
CP0929094
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| Compound Name |
SID50106010
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| Structure |
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| Formula |
C20H22BrFN2O
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| Molecular Weight |
405.311
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| Canonical SMILES |
Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
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| InChI |
InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
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| InChIKey |
WIHMBLDNRMIGDW-UHFFFAOYSA-N
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| CAS |
59729-32-7
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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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00871, Sodium-dependent serotonin transporter