General Information of the Compound
| Compound ID |
CP0478342
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| Compound Name |
((R)-Cyclopropyl-phenyl-methyl)-propyl-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
CCCN([C@H](C1CC1)c1ccccc1)c1nccc(n1)-c1c(OC)cc(OC)cc1OC
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| InChI |
InChI=1S/C26H31N3O3/c1-5-15-29(25(19-11-12-19)18-9-7-6-8-10-18)26-27-14-13-21(28-26)24-22(31-3)16-20(30-2)17-23(24)32-4/h6-10,13-14,16-17,19,25H,5,11-12,15H2,1-4H3/t25-/m0/s1
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| InChIKey |
IFGNWUIDGZIYAU-VWLOTQADSA-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