General Information of the Compound
Compound ID |
CP0390506
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Compound Name |
(4R,5S)-4-(4-Fluoro-phenyl)-1-methyl-piperidine-3-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 |
C34H36ClFN4O3S
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Molecular Weight |
635.205
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Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CN(C)CC[C@@H]2c2ccc(F)cc2)c1=O
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InChI |
InChI=1S/C34H36ClFN4O3S/c1-22(37-33(41)31-21-39(2)19-18-30(31)23-6-10-26(36)11-7-23)4-5-24-20-32(44-29-16-8-25(35)9-17-29)38-40(34(24)42)27-12-14-28(43-3)15-13-27/h6-17,20,22,30-31H,4-5,18-19,21H2,1-3H3,(H,37,41)/t22-,30-,31+/m1/s1
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InChIKey |
LPZBXKUELQDVOX-OGZQLISNSA-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