General Information of the Compound
| Compound ID |
CP0517094
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| Compound Name |
(3R,4R)-3-(3-chlorophenyl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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| Structure |
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| Formula |
C19H18ClNO3
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| Molecular Weight |
343.81
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| Canonical SMILES |
CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H18ClNO3/c1-2-10-21-17(12-6-5-7-13(20)11-12)16(19(23)24)14-8-3-4-9-15(14)18(21)22/h3-9,11,16-17H,2,10H2,1H3,(H,23,24)/t16-,17+/m1/s1
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| InChIKey |
SBJUUKQEPULACO-SJORKVTESA-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