General Information of the Compound
| Compound ID |
CP0554328
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| Compound Name |
(2S)-2-[[5-(1,3-benzodioxol-5-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
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| Structure |
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| Formula |
C27H21N3O4
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| Molecular Weight |
451.482
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| Canonical SMILES |
OC[C@@H](Nc1ncnc2oc(c(-c3ccc4OCOc4c3)c12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H21N3O4/c31-14-20(17-7-3-1-4-8-17)30-26-24-23(19-11-12-21-22(13-19)33-16-32-21)25(18-9-5-2-6-10-18)34-27(24)29-15-28-26/h1-13,15,20,31H,14,16H2,(H,28,29,30)/t20-/m1/s1
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| InChIKey |
CGGGWVZOXQYNNH-HXUWFJFHSA-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