General Information of the Compound
| Compound ID |
CP0496104
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(pyridin-2-ylsulfonyl)propanamide
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| Structure |
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| Formula |
C30H28N4O4S
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| Molecular Weight |
540.645
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| Canonical SMILES |
O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccccn1
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| InChI |
InChI=1S/C30H28N4O4S/c35-29(33-39(36,37)30-8-3-4-16-31-30)14-13-26-12-10-24(22-34-18-5-17-32-34)21-28(26)38-19-15-23-9-11-25-6-1-2-7-27(25)20-23/h1-12,16-18,20-21H,13-15,19,22H2,(H,33,35)
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| InChIKey |
SGJSNFGCYULSOB-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