General Information of the Compound
| Compound ID |
CP0500851
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| Compound Name |
3-[2-[(2,4-dichlorophenyl)methyl]-5-propan-2-yloxypyrazol-3-yl]-N-methylsulfonylpropanamide
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| Structure |
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| Formula |
C17H21Cl2N3O4S
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| Molecular Weight |
434.345
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| Canonical SMILES |
CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C17H21Cl2N3O4S/c1-11(2)26-17-9-14(6-7-16(23)21-27(3,24)25)22(20-17)10-12-4-5-13(18)8-15(12)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,23)
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| InChIKey |
MQLDILMWGJRVTQ-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