General Information of the Compound
| Compound ID |
CP0487182
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| Compound Name |
(4R,5S)-4-p-Tolyl-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 |
C34H37ClN4O3S
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| Molecular Weight |
617.215
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(C)cc2)c1=O
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| InChI |
InChI=1S/C34H37ClN4O3S/c1-22-4-7-24(8-5-22)30-18-19-36-21-31(30)33(40)37-23(2)6-9-25-20-32(43-29-16-10-26(35)11-17-29)38-39(34(25)41)27-12-14-28(42-3)15-13-27/h4-5,7-8,10-17,20,23,30-31,36H,6,9,18-19,21H2,1-3H3,(H,37,40)/t23-,30-,31+/m1/s1
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| InChIKey |
QQXJXZYVLKDWOI-GRRRMQDASA-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