General Information of the Compound
| Compound ID |
CP0476494
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| Compound Name |
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C36H34N4O2S
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| Molecular Weight |
586.761
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| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)
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| InChIKey |
ZFGJKGPMONGQDN-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