General Information of the Compound
| Compound ID |
CP0530962
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| Compound Name |
2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octahydro-pyrido[1,2-a]pyrazine
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| Structure |
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| Formula |
C26H27N3O2S
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| Molecular Weight |
445.588
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| Canonical SMILES |
O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C26H27N3O2S/c30-32(31,26-10-5-7-20-6-1-2-9-24(20)26)29-15-13-21-11-12-22(18-25(21)29)28-17-16-27-14-4-3-8-23(27)19-28/h1-2,5-7,9-13,15,18,23H,3-4,8,14,16-17,19H2
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| InChIKey |
LOLNUGRRRGWLEA-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