General Information of the Compound
| Compound ID |
CP0470182
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| Compound Name |
1-(benzenesulfonyl)-3-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
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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(NCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H28N4O4S/c35-30(33-39(36,37)28-9-2-1-3-10-28)31-21-27-14-12-24(22-34-17-6-16-32-34)20-29(27)38-18-15-23-11-13-25-7-4-5-8-26(25)19-23/h1-14,16-17,19-20H,15,18,21-22H2,(H2,31,33,35)
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| InChIKey |
PELNAJMIORGITF-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