General Information of the Compound
| Compound ID |
CP0883075
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-{4-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C44H45F2N9O4
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| Molecular Weight |
801.899
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN4CCOC[C@@H]4C3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H45F2N9O4/c1-57-37-12-9-28(24-32(37)43(56)51-41-33(45)6-5-7-34(41)46)40-42(55-17-4-3-8-39(55)50-40)36-13-16-47-44(49-36)48-35-11-10-30(25-38(35)58-2)52-18-14-29(15-19-52)54-21-20-53-22-23-59-27-31(53)26-54/h3-13,16-17,24-25,29,31H,14-15,18-23,26-27H2,1-2H3,(H,51,56)(H,47,48,49)/t31-/m0/s1
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| InChIKey |
UBSJNJUTXOQWOY-HKBQPEDESA-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