General Information of the Compound
| Compound ID |
CP0408604
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| Compound Name |
(S)-2-(4-Phenoxy-pyridine-2-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide
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| Structure |
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| Formula |
C33H33N3O3
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| Molecular Weight |
519.645
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| Canonical SMILES |
CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cc(Oc3ccccc3)ccn2)cc1
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| InChI |
InChI=1S/C33H33N3O3/c1-2-3-5-10-24-15-17-27(18-16-24)35-32(37)31-21-25-11-8-9-12-26(25)23-36(31)33(38)30-22-29(19-20-34-30)39-28-13-6-4-7-14-28/h4,6-9,11-20,22,31H,2-3,5,10,21,23H2,1H3,(H,35,37)/t31-/m0/s1
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| InChIKey |
QDQFZHMSACCLBQ-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