General Information of the Compound
| Compound ID |
CP0267445
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| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-piperidin-4-ylurea
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| Structure |
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| Formula |
C21H31N5O3
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| Molecular Weight |
401.511
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| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCNCC1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C21H31N5O3/c1-16-14-23-15-25(16)12-4-9-24-21(27)26(17-7-10-22-11-8-17)18-5-6-19(28-2)20(13-18)29-3/h5-6,13-15,17,22H,4,7-12H2,1-3H3,(H,24,27)
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| InChIKey |
OYYGLGCNHCVPMY-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