General Information of the Compound
| Compound ID |
CP0233599
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| Compound Name |
1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)pyridin-3-yl]urea
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
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| InChIKey |
PRPFBJLQOIBXJQ-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
Protein ID: PT01877, P2Y purinoceptor 1
Protein ID: PT02449, P2Y purinoceptor 12