General Information of the Compound
| Compound ID |
CP0504297
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| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(4-methylthiazol-2-ylsulfonyl)propanamide
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| Structure |
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| Formula |
C29H28N4O4S2
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| Molecular Weight |
560.701
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| Canonical SMILES |
Cc1csc(n1)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C29H28N4O4S2/c1-21-20-38-29(31-21)39(35,36)32-28(34)12-11-25-10-8-23(19-33-15-4-14-30-33)18-27(25)37-16-13-22-7-9-24-5-2-3-6-26(24)17-22/h2-10,14-15,17-18,20H,11-13,16,19H2,1H3,(H,32,34)
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| InChIKey |
YLMOCMGDRVJRLP-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