General Information of the Compound
| Compound ID |
CP0913017
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C42H43F2N9O2
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| Molecular Weight |
743.863
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCN(C)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H43F2N9O2/c1-50-19-7-20-51(25-24-50)30-16-22-52(23-17-30)31-13-14-34(36(27-31)55-2)46-42-45-18-15-35(47-42)40-38(48-37-12-3-4-21-53(37)40)28-8-5-9-29(26-28)41(54)49-39-32(43)10-6-11-33(39)44/h3-6,8-15,18,21,26-27,30H,7,16-17,19-20,22-25H2,1-2H3,(H,49,54)(H,45,46,47)
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| InChIKey |
RDRKXGHFAIGAOB-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