General Information of the Compound
| Compound ID |
CP0494133
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| Compound Name |
1-phenyl-3-[4-(6-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3ccc(cc23)N2CCCC2)cc1
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| InChI |
InChI=1S/C25H23N5O2/c31-25(28-18-6-2-1-3-7-18)29-19-8-11-21(12-9-19)32-24-22-16-20(30-14-4-5-15-30)10-13-23(22)26-17-27-24/h1-3,6-13,16-17H,4-5,14-15H2,(H2,28,29,31)
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| InChIKey |
JDFVLMNBLQPMHB-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