General Information of the Compound
| Compound ID |
CP0467224
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| Compound Name |
1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(4-phenoxyphenyl)urea
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1
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| InChI |
InChI=1S/C26H29N3O4/c1-31-25-19-21(11-14-24(25)32-18-17-29-15-5-6-16-29)28-26(30)27-20-9-12-23(13-10-20)33-22-7-3-2-4-8-22/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,27,28,30)
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| InChIKey |
ROYXKWFBXGVHOV-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