General Information of the Compound
| Compound ID |
CP0504264
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| Compound Name |
N-[5-[2-[(5-chloro-2-methoxyphenyl)methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C25H30ClN5O4S
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| Molecular Weight |
532.066
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| Canonical SMILES |
COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H30ClN5O4S/c1-15-21(36-24(27-15)28-23(33)25(2,3)4)19-13-18(22(32)30-8-10-35-11-9-30)29-31(19)14-16-12-17(26)6-7-20(16)34-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28,33)
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| InChIKey |
QEKYGGNLNDNLFQ-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