General Information of the Compound
| Compound ID |
CP0374532
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| Compound Name |
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ((R)-1-(4-chloro-benzyl)-2-{4-[2-(1-cyclopentylamino-ethyl)-phenyl]-piperazin-1-yl}-2-oxo-ethyl)-amide
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| Structure |
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| Formula |
C36H44ClN5O2
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| Molecular Weight |
614.234
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| Canonical SMILES |
CC(NC1CCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C36H44ClN5O2/c1-25(39-30-10-4-5-11-30)31-12-6-7-13-34(31)41-18-20-42(21-19-41)36(44)33(22-26-14-16-29(37)17-15-26)40-35(43)32-23-27-8-2-3-9-28(27)24-38-32/h2-3,6-9,12-17,25,30,32-33,38-39H,4-5,10-11,18-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1
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| InChIKey |
JNWGDHXQXYFGAM-RFIRWQGWSA-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