General Information of the Compound
| Compound ID |
CP0544040
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(2-piperazin-1-ylethyl)urea
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| Structure |
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| Formula |
C22H34N6O3
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| Molecular Weight |
430.553
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| Canonical SMILES |
COc1ccc(cc1OC)N(CCN1CCNCC1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C22H34N6O3/c1-18-16-24-17-27(18)10-4-7-25-22(29)28(14-13-26-11-8-23-9-12-26)19-5-6-20(30-2)21(15-19)31-3/h5-6,15-17,23H,4,7-14H2,1-3H3,(H,25,29)
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| InChIKey |
HVRMCYZPCNHHQQ-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