General Information of the Compound
| Compound ID |
CP0455269
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| Compound Name |
N-[4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]acetamide
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| Structure |
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| Formula |
C28H24N4O3
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| Molecular Weight |
464.525
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1c(oc2ncnc(N[C@H](CO)c3ccccc3)c12)-c1ccccc1
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| InChI |
InChI=1S/C28H24N4O3/c1-18(34)31-22-14-12-20(13-15-22)24-25-27(32-23(16-33)19-8-4-2-5-9-19)29-17-30-28(25)35-26(24)21-10-6-3-7-11-21/h2-15,17,23,33H,16H2,1H3,(H,31,34)(H,29,30,32)/t23-/m1/s1
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| InChIKey |
BMSYYYVQJGFDHW-HSZRJFAPSA-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