General Information of the Compound
| Compound ID |
CP0440310
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-2-(4-{2-[(benzyl-methyl-amino)-methyl]-phenyl}-piperazin-1-yl)-1-(4-chloro-benzyl)-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C38H42ClN5O2
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| Molecular Weight |
636.24
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| Canonical SMILES |
CN(Cc1ccccc1)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C38H42ClN5O2/c1-42(26-29-9-3-2-4-10-29)27-32-13-7-8-14-36(32)43-19-21-44(22-20-43)38(46)35(23-28-15-17-33(39)18-16-28)41-37(45)34-24-30-11-5-6-12-31(30)25-40-34/h2-18,34-35,40H,19-27H2,1H3,(H,41,45)/t34-,35-/m1/s1
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| InChIKey |
JJBDKVDIKZJYDD-VSJLXWSYSA-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