General Information of the Compound
| Compound ID |
CP0520295
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| Compound Name |
N-[[1-[(3-methoxyphenyl)methyl]-3-propan-2-ylpyrazol-4-yl]methyl]-4-methyl-3-morpholin-4-ylsulfonylaniline
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| Structure |
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| Formula |
C26H34N4O4S
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| Molecular Weight |
498.649
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| Canonical SMILES |
COc1cccc(Cn2cc(CNc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
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| InChI |
InChI=1S/C26H34N4O4S/c1-19(2)26-22(18-29(28-26)17-21-6-5-7-24(14-21)33-4)16-27-23-9-8-20(3)25(15-23)35(31,32)30-10-12-34-13-11-30/h5-9,14-15,18-19,27H,10-13,16-17H2,1-4H3
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| InChIKey |
YLMKPPNIOHJHGQ-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