General Information of the Compound
| Compound ID |
CP0541596
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| Compound Name |
(4R,5S)-4-Naphthalen-1-yl-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 |
C37H37ClN4O3S
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| Molecular Weight |
653.248
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2cccc3ccccc23)c1=O
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| InChI |
InChI=1S/C37H37ClN4O3S/c1-24(40-36(43)34-23-39-21-20-33(34)32-9-5-7-25-6-3-4-8-31(25)32)10-11-26-22-35(46-30-18-12-27(38)13-19-30)41-42(37(26)44)28-14-16-29(45-2)17-15-28/h3-9,12-19,22,24,33-34,39H,10-11,20-21,23H2,1-2H3,(H,40,43)/t24-,33-,34+/m1/s1
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| InChIKey |
LGRGORPCTINHJX-YPCYDDIISA-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