General Information of the Compound
| Compound ID |
CP0010258
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| Compound Name |
N-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)phenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
OC(COc1cccc(NC(=O)c2cnccn2)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H24N4O3/c28-20(15-27-11-8-17-4-1-2-5-18(17)14-27)16-30-21-7-3-6-19(12-21)26-23(29)22-13-24-9-10-25-22/h1-7,9-10,12-13,20,28H,8,11,14-16H2,(H,26,29)
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| InChIKey |
ODBKVNVAILHDIT-UHFFFAOYSA-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