General Information of the Compound
| Compound ID |
CP0501821
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| Compound Name |
3-(2,2-dimethylchroman-6-yl)-1-(4-methoxyphenylsulfonyl)-1H-pyrazole
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| Structure |
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| Formula |
C21H22N2O4S
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| Molecular Weight |
398.484
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1ccc(n1)-c1ccc2OC(C)(C)CCc2c1
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| InChI |
InChI=1S/C21H22N2O4S/c1-21(2)12-10-16-14-15(4-9-20(16)27-21)19-11-13-23(22-19)28(24,25)18-7-5-17(26-3)6-8-18/h4-9,11,13-14H,10,12H2,1-3H3
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| InChIKey |
DYLGOXQLIURIPQ-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
Protein ID: PT03909, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2
Protein ID: PT06109, Geminin