General Information of the Compound
| Compound ID |
CP0196606
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| Compound Name |
4-[[(6R)-7-cyano-5-cyclohexyl-6-ethyl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C31H38FN9O2
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| Molecular Weight |
587.704
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| Canonical SMILES |
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12
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| InChI |
InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1
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| InChIKey |
XKVZTXMZBWFWRQ-RUZDIDTESA-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