General Information of the Compound
| Compound ID |
CP0527480
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| Compound Name |
2-[1-(Toluene-4-sulfonyl)-1H-indol-6-yl]-octahydro-pyrrolo[1,2-a]pyrazine
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| Structure |
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| Formula |
C22H25N3O2S
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| Molecular Weight |
395.528
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)N1CCN2CCCC2C1
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| InChI |
InChI=1S/C22H25N3O2S/c1-17-4-8-21(9-5-17)28(26,27)25-12-10-18-6-7-19(15-22(18)25)24-14-13-23-11-2-3-20(23)16-24/h4-10,12,15,20H,2-3,11,13-14,16H2,1H3
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| InChIKey |
LOCNIBUPFGMZHY-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