General Information of the Compound
| Compound ID |
CP0408603
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| Compound Name |
(S)-2-(4-Methoxy-3-phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C35H36N2O4
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| Molecular Weight |
548.683
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(OC)c(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C35H36N2O4/c1-3-4-6-11-25-16-19-29(20-17-25)36-34(38)31-22-26-12-9-10-13-28(26)24-37(31)35(39)27-18-21-32(40-2)33(23-27)41-30-14-7-5-8-15-30/h5,7-10,12-21,23,31H,3-4,6,11,22,24H2,1-2H3,(H,36,38)/t31-/m0/s1
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| InChIKey |
YQPWJNBDSORWJC-HKBQPEDESA-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