General Information of the Compound
| Compound ID |
CP0268743
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| Compound Name |
4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide
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| Structure |
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| Formula |
C29H36FN9O2
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| Molecular Weight |
561.666
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| Canonical SMILES |
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(CC)CC3)ncc2-n2cnc(C#N)c12
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| InChI |
InChI=1S/C29H36FN9O2/c1-6-23-26-22(14-31)33-16-38(26)24-15-32-29(36-27(24)39(23)17(3)4)35-21-13-20(30)19(12-25(21)41-5)28(40)34-18-8-10-37(7-2)11-9-18/h12-13,15-18,23H,6-11H2,1-5H3,(H,34,40)(H,32,35,36)/t23-/m1/s1
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| InChIKey |
NVZUHQUNIGVGBQ-HSZRJFAPSA-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