General Information of the Compound
| Compound ID |
CP0554327
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| Compound Name |
(2S)-2-[[5-(3-nitrophenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
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| Structure |
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| Formula |
C26H20N4O4
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| Molecular Weight |
452.47
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| Canonical SMILES |
OC[C@@H](Nc1ncnc2oc(c(-c3cccc(c3)[N+]([O-])=O)c12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H20N4O4/c31-15-21(17-8-3-1-4-9-17)29-25-23-22(19-12-7-13-20(14-19)30(32)33)24(18-10-5-2-6-11-18)34-26(23)28-16-27-25/h1-14,16,21,31H,15H2,(H,27,28,29)/t21-/m1/s1
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| InChIKey |
VBHDQDBZRZFSML-OAQYLSRUSA-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