General Information of the Compound
| Compound ID |
CP0492192
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| Compound Name |
1-[4-[2-(2-aminoethylamino)pyridin-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 |
C27H39N7O3
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| Molecular Weight |
509.655
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| Canonical SMILES |
COc1ccc(cc1OC)N(CCCCc1ccnc(NCCN)c1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C27H39N7O3/c1-21-19-29-20-33(21)15-6-12-32-27(35)34(23-8-9-24(36-2)25(18-23)37-3)16-5-4-7-22-10-13-30-26(17-22)31-14-11-28/h8-10,13,17-20H,4-7,11-12,14-16,28H2,1-3H3,(H,30,31)(H,32,35)
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| InChIKey |
ZSNSSKMMFXWNPZ-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