General Information of the Compound
| Compound ID |
CP0547996
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-methyl-3-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
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| Formula |
C38H39N5O3
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| Molecular Weight |
613.762
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(Nc5nccc(n5)-c5ccc(C)cc5)c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C38H39N5O3/c1-25-5-10-28(11-6-25)33-15-18-39-38(41-33)42-34-21-30(12-7-26(34)2)37(44)40-32-13-8-27(9-14-32)16-19-43-20-17-29-22-35(45-3)36(46-4)23-31(29)24-43/h5-15,18,21-23H,16-17,19-20,24H2,1-4H3,(H,40,44)(H,39,41,42)
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| InChIKey |
KEAKPCOAAUGNAK-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