General Information of the Compound
| Compound ID |
CP0899577
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[5-(1-pyrrolidinylmethyl)-1,3,4-oxadiazol-2-yl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C38H31F2N9O3
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| Molecular Weight |
699.722
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| Canonical SMILES |
COc1cc(-c2nnc(CN3CCCC3)o2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C38H31F2N9O3/c1-51-30-21-25(37-47-46-32(52-37)22-48-17-4-5-18-48)13-14-28(30)42-38-41-16-15-29(43-38)35-33(44-31-12-2-3-19-49(31)35)23-8-6-9-24(20-23)36(50)45-34-26(39)10-7-11-27(34)40/h2-3,6-16,19-21H,4-5,17-18,22H2,1H3,(H,45,50)(H,41,42,43)
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| InChIKey |
IVHPWNUUMWSZTE-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor