General Information of the Compound
| Compound ID |
CP0895692
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(ethyloxy)benzamide
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| Structure |
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| Formula |
C45H49F2N9O5S
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| Molecular Weight |
866.008
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| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(CC)c(N4CCC(N5CCN(S(C)(=O)=O)CC5)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C45H49F2N9O5S/c1-5-29-27-36(39(60-3)28-37(29)54-20-16-31(17-21-54)53-22-24-55(25-23-53)62(4,58)59)50-45-48-18-15-35(49-45)43-41(51-40-12-7-8-19-56(40)43)30-13-14-38(61-6-2)32(26-30)44(57)52-42-33(46)10-9-11-34(42)47/h7-15,18-19,26-28,31H,5-6,16-17,20-25H2,1-4H3,(H,52,57)(H,48,49,50)
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| InChIKey |
VWJFHLBAKQXQFR-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