General Information of the Compound
| Compound ID |
CP0550855
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| Compound Name |
1-[2-(2-aminopyridin-4-yl)ethyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C23H30N6O3
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| Molecular Weight |
438.532
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| Canonical SMILES |
COc1ccc(cc1OC)N(CCc1ccnc(N)c1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C23H30N6O3/c1-17-15-25-16-28(17)11-4-9-27-23(30)29(12-8-18-7-10-26-22(24)13-18)19-5-6-20(31-2)21(14-19)32-3/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H2,24,26)(H,27,30)
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| InChIKey |
NTCFJRFEHPNUNG-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