General Information of the Compound
| Compound ID |
CP0558880
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| Compound Name |
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]piperazine
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| Structure |
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| Formula |
C23H29N3O4S
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| Molecular Weight |
443.569
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| Canonical SMILES |
C[C@H]1CCCCN1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H29N3O4S/c1-18-4-2-3-11-26(18)20-7-5-19(6-8-20)24-12-14-25(15-13-24)31(27,28)21-9-10-22-23(16-21)30-17-29-22/h5-10,16,18H,2-4,11-15,17H2,1H3/t18-/m0/s1
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| InChIKey |
CCTBJDITRFEIRW-SFHVURJKSA-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