General Information of the Compound
Compound ID |
CP0399828
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Compound Name |
(R)-1-(4-Fluoro-phenyl)-piperazine-2-carboxylic acid {(R)-3-[6-(4-chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-1-methyl-propyl}-amide
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Structure |
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Formula |
C32H33ClFN5O3S
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Molecular Weight |
622.166
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Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCCN2c2ccc(F)cc2)c1=O
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InChI |
InChI=1S/C32H33ClFN5O3S/c1-21(36-31(40)29-20-35-17-18-38(29)25-9-7-24(34)8-10-25)3-4-22-19-30(43-28-15-5-23(33)6-16-28)37-39(32(22)41)26-11-13-27(42-2)14-12-26/h5-16,19,21,29,35H,3-4,17-18,20H2,1-2H3,(H,36,40)/t21-,29-/m1/s1
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InChIKey |
HZMVJLWFSIUIPU-ONOMSOESSA-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