General Information of the Compound
| Compound ID |
CP0576611
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| Compound Name |
2-[3-(2,4-difluorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
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| Formula |
C19H19F2N3S
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| Molecular Weight |
359.445
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| Canonical SMILES |
Fc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)c(F)c1
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| InChI |
InChI=1S/C19H19F2N3S/c20-14-6-7-18(15(21)12-14)25-11-3-8-23-9-10-24-17-5-2-1-4-16(17)22-19(24)13-23/h1-2,4-7,12H,3,8-11,13H2
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| InChIKey |
CFGMEQLDYLZYNY-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