General Information of the Compound
| Compound ID |
CP0455332
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| Compound Name |
2-[1-(2,4-Difluoro-benzenesulfonyl)-1H-indol-6-yl]-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C22H23F2N3O2S
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| Molecular Weight |
431.508
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C22H23F2N3O2S/c23-17-5-7-22(20(24)13-17)30(28,29)27-10-8-16-4-6-18(14-21(16)27)26-12-11-25-9-2-1-3-19(25)15-26/h4-8,10,13-14,19H,1-3,9,11-12,15H2
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| InChIKey |
NTWYASUGXMSTLR-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