General Information of the Compound
| Compound ID |
CP0349568
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| Compound Name |
5-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
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| Structure |
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| Formula |
C30H25FN6O4
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| Molecular Weight |
552.566
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| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccc(F)cc4)c(N[C@H](CO)c4ccccc4)n3)cc12
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| InChI |
InChI=1S/C30H25FN6O4/c1-30(2)23-14-20(12-13-21(23)28(39)40-30)33-29-32-15-22(26(36-29)34-24(16-38)17-6-4-3-5-7-17)27-35-25(37-41-27)18-8-10-19(31)11-9-18/h3-15,24,38H,16H2,1-2H3,(H2,32,33,34,36)/t24-/m1/s1
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| InChIKey |
KBDKZFILRCQRGO-XMMPIXPASA-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