General Information of the Compound
| Compound ID |
CP0169241
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| Compound Name |
[4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone
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| Structure |
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| Formula |
C33H33N3O6S
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| Molecular Weight |
599.709
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| Canonical SMILES |
O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1ccnc2ccccc12
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| InChI |
InChI=1S/C33H33N3O6S/c37-33(29-11-16-34-30-4-2-1-3-28(29)30)36-17-12-23(13-18-36)35-19-14-25(15-20-35)42-24-5-7-26(8-6-24)43(38,39)27-9-10-31-32(21-27)41-22-40-31/h1-11,16,21,23,25H,12-15,17-20,22H2
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| InChIKey |
OTXAXKSCCRXPDR-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