General Information of the Compound
| Compound ID |
CP0448539
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| Compound Name |
3-[6-(4-Chloro-phenylsulfanyl)-2-(4-methoxy-phenyl)-3-oxo-2,3-dihydro-pyridazin-4-yl]-N-((R)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-propionamide
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| Structure |
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| Formula |
C30H27ClN4O4S
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| Molecular Weight |
575.09
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CCC(=O)N[C@@H]2CCc3ccccc3NC2=O)c1=O
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| InChI |
InChI=1S/C30H27ClN4O4S/c1-39-23-12-10-22(11-13-23)35-30(38)20(18-28(34-35)40-24-14-8-21(31)9-15-24)7-17-27(36)32-26-16-6-19-4-2-3-5-25(19)33-29(26)37/h2-5,8-15,18,26H,6-7,16-17H2,1H3,(H,32,36)(H,33,37)/t26-/m1/s1
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| InChIKey |
KHNNYGWTTPEWBC-AREMUKBSSA-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