General Information of the Compound
| Compound ID |
CP0544265
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| Compound Name |
1-phenyl-3-[5-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
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| Structure |
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| Formula |
C20H18N6OS
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| Molecular Weight |
390.472
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| Canonical SMILES |
O=C(Nc1ncc(CCNc2ncnc3ccccc23)s1)Nc1ccccc1
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| InChI |
InChI=1S/C20H18N6OS/c27-19(25-14-6-2-1-3-7-14)26-20-22-12-15(28-20)10-11-21-18-16-8-4-5-9-17(16)23-13-24-18/h1-9,12-13H,10-11H2,(H,21,23,24)(H2,22,25,26,27)
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| InChIKey |
FHXPGUMMAZLBLK-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