General Information of the Compound
| Compound ID |
CP0540211
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (6-chloro-pyridin-3-yl)-amide
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| Structure |
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| Formula |
C28H22ClN3O3
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| Molecular Weight |
483.955
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| Canonical SMILES |
Clc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cn1
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| InChI |
InChI=1S/C28H22ClN3O3/c29-26-14-13-22(17-30-26)31-27(33)25-16-19-7-4-5-8-21(19)18-32(25)28(34)20-9-6-12-24(15-20)35-23-10-2-1-3-11-23/h1-15,17,25H,16,18H2,(H,31,33)/t25-/m1/s1
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| InChIKey |
KQBWZSYRVZDHDZ-RUZDIDTESA-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