General Information of the Compound
| Compound ID |
CP0524482
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| Compound Name |
1-cyclohexyl-3-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C30H34N8O3
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| Molecular Weight |
554.655
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| Canonical SMILES |
Cc1c(NC(=O)NC2CCCCC2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
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| InChI |
InChI=1S/C30H34N8O3/c1-19-23(8-5-9-24(19)35-30(40)34-21-6-3-2-4-7-21)26-36-27-25(31-18-32-27)28(37-26)33-22-12-10-20(11-13-22)29(39)38-14-16-41-17-15-38/h5,8-13,18,21H,2-4,6-7,14-17H2,1H3,(H2,34,35,40)(H2,31,32,33,36,37)
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| InChIKey |
XLPIEXPEDXOBLS-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