General Information of the Compound
| Compound ID |
CP0505810
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| Compound Name |
2-(4-Benzenesulfonylamino-piperidin-1-yl)-N-(6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide
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| Structure |
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| Formula |
C29H33FN4O3S
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| Molecular Weight |
536.673
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H33FN4O3S/c30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25/h1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35)
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| InChIKey |
AIUQNVGODUWATC-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