General Information of the Compound
Compound ID |
CP0910386
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Compound Name |
3-(4-fluorophenyl)-1-methyl-N-[(1R)-1-[4-({[2-(morpholin-4-yl)ethoxy]carbamoyl}methanesulfonyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
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Structure |
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Formula |
C27H32FN5O6S
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Molecular Weight |
573.647
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Canonical SMILES |
C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)NOCCN2CCOCC2)cc1
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InChI |
InChI=1S/C27H32FN5O6S/c1-19(29-27(35)25-17-24(30-32(25)2)21-3-7-22(28)8-4-21)20-5-9-23(10-6-20)40(36,37)18-26(34)31-39-16-13-33-11-14-38-15-12-33/h3-10,17,19H,11-16,18H2,1-2H3,(H,29,35)(H,31,34)/t19-/m1/s1
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InChIKey |
VVOASZPKHZBHSH-LJQANCHMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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