General Information of the Compound
| Compound ID |
CP0524175
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| Compound Name |
2-[1-(Naphthalene-2-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)(c1ccc2ccccc2c1)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C26H27N3O2S/c30-32(31,25-11-9-20-5-1-2-6-22(20)17-25)29-14-12-21-8-10-23(18-26(21)29)28-16-15-27-13-4-3-7-24(27)19-28/h1-2,5-6,8-12,14,17-18,24H,3-4,7,13,15-16,19H2
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| InChIKey |
WGXKWEPWWSGXOS-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