General Information of the Compound
| Compound ID |
CP0894107
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| Compound Name |
(2R,3R)-ethyl 3-(4-(3-bromoanilino)quinazolin-6-ylcarbamoyl)oxirane-2-carboxylate
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| Structure |
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| Formula |
C18H13BrN4O4
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| Molecular Weight |
429.23
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| Canonical SMILES |
O=C(O)[C@@H]1O[C@H]1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C18H13BrN4O4/c19-9-2-1-3-10(6-9)22-16-12-7-11(4-5-13(12)20-8-21-16)23-17(24)14-15(27-14)18(25)26/h1-8,14-15H,(H,23,24)(H,25,26)(H,20,21,22)/t14-,15-/m1/s1
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| InChIKey |
GXPRYGQEWWODAV-HUUCEWRRSA-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