General Information of the Compound
| Compound ID |
CP0709749
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| Compound Name |
(3S,4S)-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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| Structure |
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| Formula |
C26H24Cl2N2O3
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| Molecular Weight |
483.395
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| Canonical SMILES |
COCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H24Cl2N2O3/c1-33-15-14-29-25(31)23-21-4-2-3-5-22(21)26(32)30(16-17-6-10-19(27)11-7-17)24(23)18-8-12-20(28)13-9-18/h2-13,23-24H,14-16H2,1H3,(H,29,31)/t23-,24+/m0/s1
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| InChIKey |
WFBGXSNIRYDHLU-BJKOFHAPSA-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