General Information of the Compound
| Compound ID |
CP0532222
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| Compound Name |
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
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| Formula |
C30H32N6O3
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| Molecular Weight |
524.625
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| Canonical SMILES |
COc1cc2CCN(CCNC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccccn4)c3)Cc2cc1OC
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| InChI |
InChI=1S/C30H32N6O3/c1-20-7-8-22(16-26(20)35-30-33-12-9-25(34-30)24-6-4-5-11-31-24)29(37)32-13-15-36-14-10-21-17-27(38-2)28(39-3)18-23(21)19-36/h4-9,11-12,16-18H,10,13-15,19H2,1-3H3,(H,32,37)(H,33,34,35)
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| InChIKey |
GARPHPYYLBGAAF-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