General Information of the Compound
| Compound ID |
CP0928845
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-{3-[2-({2-(methyloxy)-4-[5-(1-pryrrolidinylmethyl)-1,3,4-oxa-diazol-2-yl]-phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C39H33F2N9O4
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| Molecular Weight |
729.748
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| Canonical SMILES |
COc1cc(-c2nnc(CN3CCCC3)o2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H33F2N9O4/c1-52-30-14-12-23(20-25(30)37(51)46-35-26(40)8-7-9-27(35)41)34-36(50-19-4-3-10-32(50)45-34)29-15-16-42-39(44-29)43-28-13-11-24(21-31(28)53-2)38-48-47-33(54-38)22-49-17-5-6-18-49/h3-4,7-16,19-21H,5-6,17-18,22H2,1-2H3,(H,46,51)(H,42,43,44)
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| InChIKey |
HXHWZYHURAMLFR-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