General Information of the Compound
| Compound ID |
CP0483568
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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]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C28H34FN9O2
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| Molecular Weight |
547.639
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| Canonical SMILES |
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12
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| InChI |
InChI=1S/C28H34FN9O2/c1-6-22-25-21(13-30)32-15-37(25)23-14-31-28(35-26(23)38(22)16(2)3)34-20-12-19(29)18(11-24(20)40-5)27(39)33-17-7-9-36(4)10-8-17/h11-12,14-17,22H,6-10H2,1-5H3,(H,33,39)(H,31,34,35)/t22-/m1/s1
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| InChIKey |
UMYZHTXQBNEZNF-JOCHJYFZSA-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