General Information of the Compound
| Compound ID |
CP0482548
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| Compound Name |
2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-5-[(2S)-2-methylpiperidin-1-yl]pyrazine
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
C[C@H]1CCCCN1c1cnc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H27N5O4S/c1-16-4-2-3-7-26(16)21-14-22-20(13-23-21)24-8-10-25(11-9-24)31(27,28)17-5-6-18-19(12-17)30-15-29-18/h5-6,12-14,16H,2-4,7-11,15H2,1H3/t16-/m0/s1
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| InChIKey |
OTGCDPLKAHFQES-INIZCTEOSA-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