General Information of the Compound
| Compound ID |
CP0376531
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| Compound Name |
N-[2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]ethylsulfonyl]benzamide
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| Structure |
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| Formula |
C31H29N3O4S
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| Molecular Weight |
539.657
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| Canonical SMILES |
O=C(NS(=O)(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)c1ccccc1
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| InChI |
InChI=1S/C31H29N3O4S/c35-31(28-8-2-1-3-9-28)33-39(36,37)20-16-27-14-12-25(23-34-18-6-17-32-34)22-30(27)38-19-15-24-11-13-26-7-4-5-10-29(26)21-24/h1-14,17-18,21-22H,15-16,19-20,23H2,(H,33,35)
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| InChIKey |
IANPCLXDOBSQNH-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