General Information of the Compound
| Compound ID |
CP0096899
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| Compound Name |
1-[4-(2-aminopyridin-4-yl)butyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
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| Structure |
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| Formula |
C25H34N6O3
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| Molecular Weight |
466.586
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| Canonical SMILES |
COc1ccc(cc1OC)N(CCCCc1ccnc(N)c1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C25H34N6O3/c1-19-17-27-18-30(19)13-6-11-29-25(32)31(21-8-9-22(33-2)23(16-21)34-3)14-5-4-7-20-10-12-28-24(26)15-20/h8-10,12,15-18H,4-7,11,13-14H2,1-3H3,(H2,26,28)(H,29,32)
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| InChIKey |
BVLGWCJUWAMZJB-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