General Information of the Compound
| Compound ID |
CP0480669
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| Compound Name |
(2R,3S)-3-Benzyl-piperidine-4-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]2CCNC[C@@H]2Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C34H37ClN4O3S/c1-23(37-33(40)31-18-19-36-22-26(31)20-24-6-4-3-5-7-24)8-9-25-21-32(43-30-16-10-27(35)11-17-30)38-39(34(25)41)28-12-14-29(42-2)15-13-28/h3-7,10-17,21,23,26,31,36H,8-9,18-20,22H2,1-2H3,(H,37,40)/t23-,26+,31+/m1/s1
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| InChIKey |
KQMSIZIPFULASS-SFPIMLNGSA-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