General Information of the Compound
| Compound ID |
CP0946638
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| Compound Name |
7-(1-(but-2-ynoyl)pyrrolidin-3-yl)-2-(4-(4-methoxyphenoxy)phenyl)-1H-imidazo[1,2-b]pyrazole-3-carboxamide
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| Formula |
C27H25N5O4
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| Molecular Weight |
483.528
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| Canonical SMILES |
CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1
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| InChI |
InChI=1S/C27H25N5O4/c1-3-4-23(33)31-14-13-18(16-31)22-15-29-32-25(26(28)34)24(30-27(22)32)17-5-7-20(8-6-17)36-21-11-9-19(35-2)10-12-21/h5-12,15,18,30H,13-14,16H2,1-2H3,(H2,28,34)
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| InChIKey |
DYRODJBQNSZJSC-UHFFFAOYSA-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