General Information of the Compound
| Compound ID |
CP0486022
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid pyridin-3-ylamide
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| Structure |
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| Formula |
C28H23N3O3
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| Molecular Weight |
449.51
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| Canonical SMILES |
O=C(Nc1cccnc1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C28H23N3O3/c32-27(30-23-11-7-15-29-18-23)26-17-20-8-4-5-9-22(20)19-31(26)28(33)21-10-6-14-25(16-21)34-24-12-2-1-3-13-24/h1-16,18,26H,17,19H2,(H,30,32)/t26-/m1/s1
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| InChIKey |
UUIHXMCWNWXRRR-AREMUKBSSA-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