General Information of the Compound
| Compound ID |
CP0925920
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| Compound Name |
(3R,4S)-4-Phenyl-pyrrolidine-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 hydrochloride
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| Structure |
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| Formula |
C32H34Cl2N4O3S
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| Molecular Weight |
625.622
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| Canonical SMILES |
COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccccc3)c2=O)cc1.Cl
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| InChI |
InChI=1S/C32H33ClN4O3S.ClH/c1-21(35-31(38)29-20-34-19-28(29)22-6-4-3-5-7-22)8-9-23-18-30(41-27-16-10-24(33)11-17-27)36-37(32(23)39)25-12-14-26(40-2)15-13-25;/h3-7,10-18,21,28-29,34H,8-9,19-20H2,1-2H3,(H,35,38);1H/t21-,28-,29+;/m1./s1
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| InChIKey |
FVPCOGTXDAIQAF-MDUARIOGSA-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