General Information of the Compound
| Compound ID |
CP0532227
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
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| Formula |
C37H36FN5O3
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| Molecular Weight |
617.725
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(Nc5nccc(n5)-c5ccc(F)cc5)c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C37H36FN5O3/c1-24-4-7-28(20-33(24)42-37-39-17-14-32(41-37)26-8-10-30(38)11-9-26)36(44)40-31-12-5-25(6-13-31)15-18-43-19-16-27-21-34(45-2)35(46-3)22-29(27)23-43/h4-14,17,20-22H,15-16,18-19,23H2,1-3H3,(H,40,44)(H,39,41,42)
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| InChIKey |
HULCXMVPGLDCBY-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