General Information of the Compound
| Compound ID |
CP0218324
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| Compound Name |
1-(4-morpholin-4-ylphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C22H21N7O3
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| Molecular Weight |
431.456
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ncnc3n[nH]cc23)cc1)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C22H21N7O3/c30-22(26-15-1-5-17(6-2-15)29-9-11-31-12-10-29)27-16-3-7-18(8-4-16)32-21-19-13-25-28-20(19)23-14-24-21/h1-8,13-14H,9-12H2,(H2,26,27,30)(H,23,24,25,28)
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| InChIKey |
QYWLCGURHJOURE-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