General Information of the Compound
| Compound ID |
CP0367054
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| Compound Name |
5-[[5-[5-(1-azabicyclo[2.2.2]octan-4-yl)-1,3,4-oxadiazol-2-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
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| Formula |
C31H33N7O4
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| Molecular Weight |
567.65
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| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(o4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12
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| InChI |
InChI=1S/C31H33N7O4/c1-30(2)23-16-20(8-9-21(23)27(40)42-30)33-29-32-17-22(25(35-29)34-24(18-39)19-6-4-3-5-7-19)26-36-37-28(41-26)31-10-13-38(14-11-31)15-12-31/h3-9,16-17,24,39H,10-15,18H2,1-2H3,(H2,32,33,34,35)/t24-/m1/s1
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| InChIKey |
FTBMREIZHCLTPN-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