General Information of the Compound
| Compound ID |
CP0378107
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-butoxy-phenyl)-amide
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| Structure |
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| Formula |
C33H32N2O4
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| Molecular Weight |
520.629
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C33H32N2O4/c1-2-3-20-38-28-18-16-27(17-19-28)34-32(36)31-22-24-10-7-8-11-26(24)23-35(31)33(37)25-12-9-15-30(21-25)39-29-13-5-4-6-14-29/h4-19,21,31H,2-3,20,22-23H2,1H3,(H,34,36)/t31-/m1/s1
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| InChIKey |
WNKQCWMJGIIGIP-WJOKGBTCSA-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