General Information of the Compound
| Compound ID |
CP0919430
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| Compound Name |
N-(2,6-difluorophenyl)-5-(7-fluoro-3-{2-[(2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C42H42F3N9O5S
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| Molecular Weight |
841.917
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C42H42F3N9O5S/c1-58-35-10-7-26(23-30(35)41(55)50-39-31(44)5-4-6-32(39)45)38-40(54-18-12-27(43)24-37(54)49-38)34-11-15-46-42(48-34)47-33-9-8-29(25-36(33)59-2)51-16-13-28(14-17-51)52-19-21-53(22-20-52)60(3,56)57/h4-12,15,18,23-25,28H,13-14,16-17,19-22H2,1-3H3,(H,50,55)(H,46,47,48)
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| InChIKey |
CHNWIGGFDXYVSD-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