General Information of the Compound
| Compound ID |
CP0913021
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-(3-{2-[(4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl]-2-propylphenyl)amino}-4-pyrimidinyl}imidazo[1,2a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C42H43F2N7O4S
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| Molecular Weight |
779.914
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| Canonical SMILES |
CCCc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H43F2N7O4S/c1-4-8-29-25-28(27-17-21-50(22-18-27)23-24-56(3,53)54)12-14-34(29)46-42-45-19-16-35(47-42)40-38(48-37-11-5-6-20-51(37)40)30-13-15-36(55-2)31(26-30)41(52)49-39-32(43)9-7-10-33(39)44/h5-7,9-16,19-20,25-27H,4,8,17-18,21-24H2,1-3H3,(H,49,52)(H,45,46,47)
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| InChIKey |
RRHADGCPXVHWQP-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