General Information of the Compound
| Compound ID |
CP0778804
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| Compound Name |
(3S,4S)-2-(4-chlorobenzyl)-3-(4-chlorophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C23H17Cl2NO3
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| Molecular Weight |
426.299
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| Canonical SMILES |
O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H17Cl2NO3/c24-16-9-5-14(6-10-16)13-26-21(15-7-11-17(25)12-8-15)20(23(28)29)18-3-1-2-4-19(18)22(26)27/h1-12,20-21H,13H2,(H,28,29)/t20-,21+/m0/s1
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| InChIKey |
XIYILCWDRBCFJW-LEWJYISDSA-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