General Information of the Compound
| Compound ID |
CP0559065
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| Compound Name |
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[6-[(2S)-2-methylpiperidin-1-yl]pyridin-3-yl]piperazine
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| Structure |
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
C[C@H]1CCCCN1c1ccc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H28N4O4S/c1-17-4-2-3-9-26(17)22-8-5-18(15-23-22)24-10-12-25(13-11-24)31(27,28)19-6-7-20-21(14-19)30-16-29-20/h5-8,14-15,17H,2-4,9-13,16H2,1H3/t17-/m0/s1
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| InChIKey |
BRIQORBIYAEJQD-KRWDZBQOSA-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