General Information of the Compound
| Compound ID |
CP0419245
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| Compound Name |
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[[4-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
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| Formula |
C37H37N5O4
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| Molecular Weight |
615.734
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(Nc5nccc(n5)-c5cccc(O)c5)c4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C37H37N5O4/c1-24-7-10-28(20-33(24)41-37-38-16-13-32(40-37)27-5-4-6-31(43)19-27)36(44)39-30-11-8-25(9-12-30)14-17-42-18-15-26-21-34(45-2)35(46-3)22-29(26)23-42/h4-13,16,19-22,43H,14-15,17-18,23H2,1-3H3,(H,39,44)(H,38,40,41)
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| InChIKey |
ZVDGJXQHBHXCRR-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