General Information of the Compound
| Compound ID |
CP0453210
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| Compound Name |
2-(1-Benzenesulfonyl-1H-indol-6-yl)-octahydro-pyrido[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 |
O=S(=O)(c1ccccc1)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C22H25N3O2S/c26-28(27,21-7-2-1-3-8-21)25-13-11-18-9-10-19(16-22(18)25)24-15-14-23-12-5-4-6-20(23)17-24/h1-3,7-11,13,16,20H,4-6,12,14-15,17H2
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| InChIKey |
JKTUWUWAVCNCOQ-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