General Information of the Compound
| Compound ID |
CP0508767
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [4-(4-methyl-pentyl)-phenyl]-amide
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| Structure |
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| Formula |
C35H36N2O3
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| Molecular Weight |
532.684
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| Canonical SMILES |
CC(C)CCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C35H36N2O3/c1-25(2)10-8-11-26-18-20-30(21-19-26)36-34(38)33-23-27-12-6-7-13-29(27)24-37(33)35(39)28-14-9-17-32(22-28)40-31-15-4-3-5-16-31/h3-7,9,12-22,25,33H,8,10-11,23-24H2,1-2H3,(H,36,38)/t33-/m1/s1
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| InChIKey |
QKRMSQGPLZTPSJ-MGBGTMOVSA-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