General Information of the Compound
| Compound ID |
CP0481741
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| Compound Name |
1-(2-propan-2-ylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
CC(C)c1ccccc1NC(=O)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
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| InChI |
InChI=1S/C25H28N4O/c1-18(2)21-11-3-4-12-23(21)28-25(30)26-20-10-7-9-19(17-20)22-13-8-14-24(27-22)29-15-5-6-16-29/h3-4,7-14,17-18H,5-6,15-16H2,1-2H3,(H2,26,28,30)
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| InChIKey |
HRCYLFULZXRXQY-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