General Information of the Compound
| Compound ID |
CP0485035
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-{2-[(3-hydroxy-propylamino)-methyl]-phenyl}-piperazin-1-yl)-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C33H40ClN5O3
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| Molecular Weight |
590.168
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| Canonical SMILES |
OCCCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C33H40ClN5O3/c34-28-12-10-24(11-13-28)20-30(37-32(41)29-21-25-6-1-2-7-26(25)23-36-29)33(42)39-17-15-38(16-18-39)31-9-4-3-8-27(31)22-35-14-5-19-40/h1-4,6-13,29-30,35-36,40H,5,14-23H2,(H,37,41)/t29-,30-/m1/s1
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| InChIKey |
JZDARCOOPOEMPB-LOYHVIPDSA-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